William Hughes Miller | Academic Influence

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William Hughes Miller

Chemistry

#513

World Rank

#925

Historical Rank

#237

USA Rank

Organic Chemistry

#58

World Rank

#86

Historical Rank

#25

USA Rank

chemistry Degrees

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Chemistry

William Hughes Miller's Degrees

PhD Chemistry Stanford University
Masters Chemistry Stanford University
Bachelors Chemistry Stanford University

Why Is William Hughes Miller Influential?

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According to Wikipedia, William Hughes Miller is an American professor at the University of California, Berkeley and a leading researcher in the field of theoretical chemistry. Research and career Miller is known for his development of semiclassical methods for treating chemical dynamics. From 1989 to 1993, he served as chair of the chemistry department at the University of California, Berkeley, and since 1999 he has been the Kenneth S. Pitzer Distinguished Professor at UC Berkeley.

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William Hughes Miller's Published Works

Number of citations in a given year to any of this author's works

Total number of citations to an author for the works they published in a given year. This highlights publication of the most important work(s) by the author

Published Works

A novel discrete variable representation for quantum mechanical reactive scattering via the S-matrix Kohn method (1992) (1375)
Reaction path Hamiltonian for polyatomic molecules (1980) (1095)
Dynamics of Molecular Collisions (1976) (961)
Quantum mechanical rate constants for bimolecular reactions (1983) (688)
ON FINDING TRANSITION STATES (1981) (595)
The Semiclassical Initial Value Representation: A Potentially Practical Way for Adding Quantum Effects to Classical Molecular Dynamics Simulations (2001) (576)
Quantum mechanical transition state theory and a new semiclassical model for reaction rate constants (1974) (564)
A classical analog for electronic degrees of freedom in nonadiabatic collision processes (1979) (558)
Semiclassical limit of quantum mechanical transition state theory for nonseparable systems (1975) (510)
Classical S Matrix: Numerical Application to Inelastic Collisions (1970) (479)
Rigorous formulation of quantum transition state theory and its dynamical corrections (1989) (410)
Semiclassical Theory of Electronic Transitions in Low Energy Atomic and Molecular Collisions Involving Several Nuclear Degrees of Freedom (1972) (398)
Semiclassical approximations for the calculation of thermal rate constants for chemical reactions in complex molecular systems (1998) (330)
Tunneling Corrections to Unimolecular Rate Constants, with Application to Formaldehyde (1979) (329)
Theories of intramolecular vibrational energy transfer (1991) (322)
Theory of Penning Ionization. I. Atoms (1970) (317)
Semiclassical Theory of Atom–Diatom Collisions: Path Integrals and the Classical S Matrix (1970) (312)
Calculation of the cumulative reaction probability via a discrete variable representation with absorbing boundary conditions (1992) (305)
Semiclassical theory of electronically nonadiabatic dynamics: results of a linearized approximation to the initial value representation (1998) (290)
Unified statistical model for ’’complex’’ and ’’direct’’ reaction mechanisms (1976) (271)
Quantum reactive scattering via the S‐matrix version of the Kohn variational principle: Differential and integral cross sections for D+H2 →HD+H (1989) (255)
Time‐dependent self‐consistent field (TDSCF) approximation for a reaction coordinate coupled to a harmonic bath: Single and multiple configuration treatments (1987) (232)
Spiers Memorial Lecture Quantum and semiclassical theory of chemical reaction rates (1998) (231)
Reaction surface description of intramolecular hydrogen atom transfer in malonaldehyde (1986) (226)
Self-consistent hybrid approach for complex systems: Application to the spin-boson model with Debye spectral density (2001) (207)
Semiclassical initial value representation for electronically nonadiabatic molecular dynamics (1997) (204)
ANALYTIC CONTINUATION OF CLASSICAL MECHANICS FOR CLASSICALLY FORBIDDEN COLLISION PROCESSES. (1972) (201)
Classical‐Limit Quantum Mechanics and the Theory of Molecular Collisions (2007) (194)
The Classical S-Matrix: Linear Reactive Collisions of H + Cl2 (1971) (189)
Coupled Equations and the Minimum Principle for Collisions of an Atom and a Diatomic Molecule, Including Rearrangements (1969) (187)
Quantum mechanical reaction probabilities via a discrete variable representation-absorbing boundary condition Green's function (1992) (181)
Ab initio calculation of anharmonic constants for a transition state, with application to semiclassical transition state tunneling probabilities (1990) (180)
Quasiclassical selection of initial coordinates and momenta for a rotating Morse oscillator (1975) (172)
A semiclassical tunneling model for use in classical trajectory simulations (1989) (171)
Forward-backward initial value representation for semiclassical time correlation functions (1999) (165)
Theoretical treatment of quenching in O(1D) + N2 collisions (1975) (164)
The Dielectric and Optical Properties of the Homologous Series of Cyano-Alkyl-Biphenyl Liquid Crystals (1978) (163)
Recent Advances in Quantum Mechanical Reactive Scattering Theory, Including Comparison of Recent Experiments with Rigorous Calculations of State-to-State Cross Sections for the H/D+H2→H2/HD+H Reactions (1990) (163)
Semiclassical transition state theory. A new perspective (1993) (160)
Semiclassical eigenvalues for nonseparable systems: Nonperturbative solution of the Hamilton–Jacobi equation in action‐angle variables (1976) (155)
Beyond transition-state theory: A rigorous quantum theory of chemical reaction rates (1993) (154)
Systematic convergence in the dynamical hybrid approach for complex systems: A numerically exact methodology (2001) (152)
Interference effects in rotational state distributions: Propensity and inverse propensity (1977) (152)
Full‐dimensional quantum mechanical calculation of the rate constant for the H2+OH→H2O+H reaction (1993) (150)
“Direct” and “Correct” Calculation of Canonical and Microcanonical Rate Constants for Chemical Reactions (1998) (149)
Quantum dynamics of complex molecular systems. (2005) (149)
The cumulative reaction probability as eigenvalue problem (1993) (149)
Classical S Matrix for Rotational Excitation; Quenching of Quantum Effects in Molecular Collisions (1971) (148)
A simple model for correcting the zero point energy problem in classical trajectory simulations of polyatomic molecules (1989) (147)
Quantum instanton approximation for thermal rate constants of chemical reactions (2003) (147)
A new basis set method for quantum scattering calculations (1987) (146)
Semiclassical description of nonadiabatic quantum dynamics: Application to the S1–S2 conical intersection in pyrazine (2000) (144)
Importance of nonseparability in quantum mechanical transition-state theory (1976) (142)
Vinylidene: Potential energy surface and unimolecular reaction dynamics (1984) (142)
Monte carlo integration with oscillatory integrands: implications for feynman path integration in real time (1987) (140)
On the quantum mechanical implications of classical ergodicity (1979) (140)
Classical models for electronic degrees of freedom: Derivation via spin analogy and application to F*+H2→F+H2 (1979) (137)
Reaction surface Hamiltonian for the dynamics of reactions in polyatomic systems (1984) (135)
Quantum scattering via the S‐matrix version of the Kohn variational principle (1988) (134)
Generalized forward–backward initial value representation for the calculation of correlation functions in complex systems (2001) (133)
An empirical valence bond model for constructing global potential energy surfaces for chemical reactions of polyatomic molecular systems (1990) (133)
Semiclassical study of electronically nonadiabatic dynamics in the condensed-phase: Spin-boson problem with Debye spectral density (1999) (132)
Quantum mechanical calculations of the rate constant for the H2+OH→H+H2O reaction: Full‐dimensional results and comparison to reduced dimensionality models (1994) (132)
Electronically nonadiabatic dynamics via semiclassical initial value methods. (2009) (132)
Classical trajectory model for electronically nonadiabatic collision phenomena. A classical analog for electronic degrees of freedom (1978) (128)
Mixed semiclassical-classical approaches to the dynamics of complex molecular systems (1997) (126)
Perspective: Quantum or classical coherence? (2012) (124)
Semi-classical theory for non-separable systems:. Construction of “good” action-angle variables for reaction rate constants (1977) (123)
Molecular Autoionization Lifetimes and Cross Sections for Penning Ionization: Numerical Results for He* (1s2s 3S) + H(1s 2S) (1972) (122)
REACTION PATH DYNAMICS FOR POLYATOMIC SYSTEMS (1983) (119)
Theoretical Treatment of Penning Ionization—He(1s2s 1S, 3S) + H(1s 2S) (1970) (115)
A UNIFIED TREATMENT OF PENNING IONIZATION AND EXCITATION TRANSFER (1977) (114)
Analysis and extension of some recently proposed classical models for electronic degrees of freedom (1980) (114)
Classical Path Approximation for the Boltzmann Density Matrix (1971) (113)
Quantum reactive scattering via the S-matrix version of the Kohn variational principle: Integral cross sections For H+H2(ν1=j1=0)→H2(ν2=1, j2= 1, 3) + H in the energy range Etotal = 0.9–1.4 eV (1988) (113)
Semiclassical transition state theory for nonseparable systems: Application to the collinear H+H2 reaction (1975) (113)
Classical S‐Matrix Theory of Reactive Tunneling: Linear H+H2 Collisions (1972) (113)
Semiclassical Treatment of Multiple Turning‐Point Problems—Phase Shifts and Eigenvalues (1968) (112)
Semiclassical description of quantum coherence effects and their quenching: A forward–backward initial value representation study (2001) (112)
Uniform Semiclassical Approximations for Elastic Scattering and Eigenvalue Problems (1968) (112)
New Physical Interpretation for Time in Scattering Theory (1984) (110)
Forward–backward initial value representation for the calculation of thermal rate constants for reactions in complex molecular systems (2000) (109)
Comment on: Semiclassical time evolution without root searches (1991) (108)
A transition state theory‐based statistical distribution of unimolecular decay rates with application to unimolecular decomposition of formaldehyde (1990) (108)
Semiclassical molecular dynamics simulations of excited state double-proton transfer in 7-azaindole dimers (1999) (107)
An analysis of the infrared and Raman spectra of the formic acid dimer (HCOOH)2 (1987) (106)
Study of the Statistical Model for Molecular Collisions (1970) (105)
Complex‐valued classical trajectories for reactive tunneling in three‐dimensional collisions of H and H2 (1973) (105)
Eigenstate‐resolved unimolecular reaction dynamics: Ergodic character of S0 formaldehyde at the dissociation threshold (1990) (105)
Symmetrical windowing for quantum states in quasi-classical trajectory simulations. (2013) (105)
Vinylidene: a very shallow minimum on the C2H2 potential energy surface (1981) (104)
Monte Carlo path integration for the real time propagator (1988) (103)
Exponential power series expansion for the quantum time evolution operator (1989) (102)
How to observe the elusive resonances in H or D + H2 → H2 or HD + H reactive scattering (1991) (102)
Semiclassical quantization of nonseparable systems: A new look at periodic orbit theory (1975) (102)
‘‘Direct’’ calculation of quantum mechanical rate constants via path integral methods: Application to the reaction path Hamiltonian, with numerical test for the H+H2 reaction in 3D (1985) (102)
Reaction path Hamiltonian: Tunneling effects in the unimolecular isomerization HNC→HCN (1980) (101)
Transition state theory, Siegert eigenstates, and quantum mechanical reaction rates (1991) (101)
Periodic orbit description of tunneling in symmetric and asymmetric double-well potentials (1979) (98)
Symmetrical windowing for quantum states in quasi-classical trajectory simulations: application to electronically non-adiabatic processes. (2013) (96)
On the semiclassical description of quantum coherence in thermal rate constants (1998) (95)
Semiclassical Description of Electronic Excitation Population Transfer in a Model Photosynthetic System (2010) (94)
Including quantum effects in the dynamics of complex (i.e., large) molecular systems. (2006) (93)
Time correlation function and path integral analysis of quantum rate constants (1989) (92)
Feshbach projection operator calculation of the potential energy surfaces and autoionization lifetimes for He(2 3S) –H and He(2 3S) –H2 (1977) (92)
Semiclassical description of electronically nonadiabatic dynamics via the initial value representation. (2007) (89)
Path integral calculation of thermal rate constants within the quantum instanton approximation: application to the H + CH4 --> H2 + CH3 hydrogen abstraction reaction in full Cartesian space. (2004) (89)
Mode specificity in the unimolecular dissociation of formaldehyde (H2CO→H2+CO), a two‐mode model (1983) (85)
Generalized Filinov transformation of the semiclassical initial value representation (2001) (85)
Accurate three‐dimensional quantum scattering calculations for F+H2→HF+H (1988) (83)
Oscillating reactivity of collinear symmetric heavy+light–heavy atom reactions (1983) (82)
Model studies of mode specificity in unimolecular reaction dynamics (1980) (82)
Classical model for electronic degrees of freedom in nonadiabatic collision processes: Pseudopotential analysis and (1979) (82)
New method for quantum reactive scattering, with applications to the 3-D H+H2 reaction (1987) (81)
A diabatic reaction path Hamiltonian (1988) (79)
Time averaging the semiclassical initial value representation for the calculation of vibrational energy levels (2003) (79)
Using the thermal Gaussian approximation for the Boltzmann operator in semiclassical initial value time correlation functions. (2006) (78)
Linearized semiclassical initial value time correlation functions using the thermal Gaussian approximation: applications to condensed phase systems. (2007) (77)
Basis set methods for describing the quantum mechanics of a ‘‘system’’ interacting with a harmonic bath (1987) (76)
Classical S‐Matrix for Vibrational Excitation of H2 by Collision with He in Three Dimensions (1972) (76)
On possibility of calculating Siegert eigenvalues for autoionizing electronic states (1978) (75)
On the tautomerization reaction 2-pyridone*2-hydroxypyridine: an ab initio study (1990) (73)
Mode specificity in unimolecular reaction dynamics: The Henon-Heiles potential energy surface (1981) (73)
On the efficient path integral evaluation of thermal rate constants within the quantum instanton approximation. (2004) (73)
Curve Crossing of the B 3Σu− and 3Π u States of O2 and Its Relation to Predissociation in the Schumann—Runge Bands (1971) (73)
Quantum scattering from a sinusoidal hard wall: Atomic diffraction from solid surfaces (1975) (72)
A new (cartesian) reaction-path model for dynamics in polyatomic systems, with application to H-atom transfer in malonaldehyde (1988) (72)
Quantum dynamical effects in liquid water: A semiclassical study on the diffusion and the infrared absorption spectrum. (2009) (71)
On the “direct” calculation of thermal rate constants. II. The flux-flux autocorrelation function with absorbing potentials, with application to the O+HCl→OH+Cl reaction (1997) (71)
Path integral representation of the reaction rate constant in quantum mechanical transition state theory (1975) (70)
Symmetrical windowing for quantum states in quasi-classical trajectory simulations: application to electron transfer. (2014) (70)
Combining semiclassical time evolution and quantum Boltzmann operator to evaluate reactive flux correlation function for thermal rate constants of complex systems (2002) (70)
Semiclassical theory of collisionally induced fine‐structure transitions in fluorine atoms (1974) (70)
Classical trajectory studies of the molecular dissociation dynamics of formaldehyde: H2CO→H2+CO (1992) (69)
The Classical S‐Matrix in Molecular Collisions (2007) (69)
On the relation between unimolecular reaction rates and overlapping resonances (1994) (69)
Quantum Mechanical Pressure-Dependent Reaction and Recombination Rates for O + OH → H + O2, HO2 (1997) (69)
Tunneling in the unimolecular decomposition of formaldehyde: a more quantitative study (1981) (68)
A simple model for the treatment of imaginary frequencies in chemical reaction rates and molecular liquids. (2009) (68)
Additions and Corrections - Structure and Tunneling Dynamics of Malonaldehyde. A Theoretical Study. (1983) (67)
Path integral evaluation of the quantum instanton rate constant for proton transfer in a polar solvent. (2005) (67)
Quantum interference among competing unimolecular decay channels: Asymmetric S0 D2CO decay profiles (1988) (67)
Femtosecond photoelectron spectroscopy of the I2− anion: A semiclassical molecular dynamics simulation method (1999) (67)
Semiclassical initial value representation for rotational degrees of freedom: The tunneling dynamics of HCl dimer (1998) (66)
Semiclassical treatment of atom‐asymmetric rotor collisions; rotational excitation of formaldehyde at low energies (1974) (66)
SEMICLASSICAL NATURE OF ATOMIC AND MOLECULAR COLLISIONS. (1971) (66)
The Symmetrical Quasi-Classical Model for Electronically Non-Adiabatic Processes Applied to Energy Transfer Dynamics in Site-Exciton Models of Light-Harvesting Complexes. (2016) (65)
Classical molecular dynamics simulation of electronically non-adiabatic processes. (2016) (64)
Semiclassical methods in chemical physics. (1986) (64)
Quantum-instanton evaluation of the kinetic isotope effects. (2005) (64)
Semiclassical description of diffraction and its quenching by the forward–backward version of the initial value representation (2001) (63)
Effect of electronic transition dynamics on iodine atom recombination in liquids (1983) (62)
WKB Solution of Inversion Problems for Potential Scattering (1969) (62)
APPLICATION OF THE SEMICLASSICAL PERTURBATION (SCP) APPROXIMATION TO DIFFRACTION AND ROTATIONALLY INELASTIC SCATTERING OF ATOMS AND MOLECULES FROM SURFACES (1983) (62)
Computation of autoionization lifetimes via a “golden rule” - like formula (1970) (61)
A classical/semiclassical theory for the interaction of infrared radiation with molecular systems (1978) (61)
Semi-classical correction for quantum-mechanical scattering (1994) (61)
On the ‘‘direct’’ calculation of thermal rate constants (1995) (61)
Semi-classical correction for quantum-mechanical scattering (1994) (61)
Distorted‐Wave Theory for Collisions of an Atom and a Diatomic Molecule (1968) (60)
An alternate derivation of the Herman—Kluk (coherent state) semiclassical initial value representation of the time evolution operator (2002) (60)
Time averaging the semiclassical initial value representation for the calculation of vibrational energy levels. II. Application to H2CO, NH3, CH4, CH2D2 (2003) (60)
Quantum mechanical calculation of the rate constant for the reaction H+O2→OH+O (1994) (60)
Real time correlation function in a single phase space integral beyond the linearized semiclassical initial value representation. (2007) (60)
New approach to quantum mechanical transition-state theory (1986) (59)
Efficient estimators for quantum instanton evaluation of the kinetic isotope effects: application to the intramolecular hydrogen transfer in pentadiene. (2007) (59)
Penning and associative ionization of triplet metastable helium atoms (1973) (59)
The classical S-matrix: a more detailed study of classically forbidden transitions in inelastic collissions☆ (1970) (58)
Photodissociation and continuum resonance Raman cross sections and general Franck–Condon intensities from S‐matrix Kohn scattering calculations with application to the photoelectron spectrum of H2F−+hν→H2+F, HF+H + e− (1990) (58)
Coupled‐channel study of rotational excitation of a rigid asymmetric top by atom impact: (H2CO,He) at interstellar temperatures (1976) (58)
Tunneling and state specificity in unimolecular reactions (1987) (58)
Insights in quantum dynamical effects in the infrared spectroscopy of liquid water from a semiclassical study with an ab initio-based flexible and polarizable force field. (2011) (57)
Dynamics of alkane hydroxylation at the non-heme diiron center in methane monooxygenase. (2002) (57)
Theoretical Studies of H + H2 Rotationally Inelastic Scattering (1972) (57)
A semiclassical model for atomic scattering from solid surfaces—He and Ne scattering from W(112) (1976) (56)
Quantum mechanical rate constants via path integrals: diffusion of hydrogen atoms on a tungsten(100) surface (1985) (55)
Semiclassical molecular dynamics simulations of ultrafast photodissociation dynamics associated with the Chappuis band of ozone (1998) (55)
Semiclassical calculation of cumulative reaction probabilities (1996) (55)
Cumulative reaction probabilities for H+H2→H2+H from a knowledge of the anharmonic force field (1992) (54)
Coupled channel distorted wave calculations for the three‐dimensional H+H2 reaction (1984) (54)
Nonadiabatic photodissociation dynamics of ICN in the Ã continuum: A semiclassical initial value representation study (2000) (54)
Complex‐Valued Classical Trajectories for Linear Reactive Collisions of H + H2 below the Classical Threshold (1972) (53)
Correct short time propagator for Feynman path integration by power series expansion in Δt (1988) (53)
Semiclassical perturbation theory of electron-molecule collisions (1978) (52)
Accuracy of transition state theory for the threshold of chemical reactions with activation energy. Collinear and three-dimensional atomic hydrogen + molecular hydrogen (1975) (52)
Semiclassical calculation of thermal rate constants in full Cartesian space: The benchmark reaction D+H2→DH+H (2003) (51)
Atomic scattering from a sinusoidal hard wall: Comparison of approximate methods with exact quantum results (1976) (50)
Infrared laser enhancement of chemical reactions via collision induced absorption (1979) (50)
Test of the consistency of various linearized semiclassical initial value time correlation functions in application to inelastic neutron scattering from liquid para-hydrogen. (2008) (50)
A new symmetrical quasi-classical model for electronically non-adiabatic processes: Application to the case of weak non-adiabatic coupling. (2016) (50)
A Log-Derivative Formulation of the Prefactor for the Semiclassical Herman-Kluk Propagator† (2000) (49)
Calculations of autoionization states of He and H (1976) (49)
Semiclassical molecular dynamics simulations of intramolecular proton transfer in photoexcited 2-(2′-hydroxyphenyl)–oxazole (2000) (49)
On the adiabatic representation of Meyer-Miller electronic-nuclear dynamics. (2017) (48)
Thermal rate constant calculation using flux–flux autocorrelation functions: Application to Cl+H2→HCl+H reaction (1997) (48)
Communication: Note on detailed balance in symmetrical quasi-classical models for electronically non-adiabatic dynamics. (2015) (48)
Femtosecond photoelectron spectroscopy of the I2− anion: Characterization of the Ã′ 2Πg,1/2 excited state (1999) (47)
Collisional Quenching of Metastable Hydrogen Atoms (1971) (46)
A Symmetrical Quasi-Classical Spin-Mapping Model for the Electronic Degrees of Freedom in Non-Adiabatic Processes. (2015) (45)
A random matrix/transition state theory for the probability distribution of state-specific unimolecular decay rates : generalization to include total angular momentum conservation and other dynamical symmetries (1993) (45)
Coherent state semiclassical initial value representation for the Boltzmann operator in thermal correlation functions (2002) (45)
3D quantum scattering calculations of the reaction He + H+2 → HeH+ + H for total angular momentum J = 0 (1990) (45)
Cooling of the 6-centimeter and 2-centimeter doublets of interstellar H$sub 2$CO by collision: an accurate quantum-mechanical calculation (1975) (44)
VOLUMETRIC STUDIES OF THE HOMOLOGOUS SERIES OF ALKYL-CYANO-BIPHENYL LIQUID CRYSTALS (1979) (44)
Further theoretical examination of the F + H2 entrance channel barrier (1985) (43)
Proton Transfer Studied Using a Combined Ab Initio Reactive Potential Energy Surface with Quantum Path Integral Methodology. (2010) (43)
On the Relation between the Semiclassical Initial Value Representation and an Exact Quantum Expansion in Time-Dependent Coherent States † (2002) (43)
CLASSICAL-LIMIT GREEN'S FUNCTION (FIXED-ENERGY PROPAGATOR) AND CLASSICAL QUANTIZATION OF NONSEPARABLE SYSTEMS. (1972) (42)
Semi-classical methods for vibrational energy levels of triatomic molecules (1977) (42)
A semiclassical determination of the energy levels of a rigid asymmetric rotor (1978) (42)
Applications of a simple dynamical model to the reaction-path Hamiltonian: tunneling corrections to rate constants, product-state distributions, line widths of local-mode overtones, and mode specificity in unimolecular decomposition (1982) (42)
Communication: Wigner functions in action-angle variables, Bohr-Sommerfeld quantization, the Heisenberg correspondence principle, and a symmetrical quasi-classical approach to the full electronic density matrix. (2016) (42)
Monte Carlo path integration in real time via complex coordinates (1987) (42)
Some problems of correcting the zero-point energy problem in classical trajectories (1992) (41)
Collisional recombination reaction H+O2+M→HO2+M: Quantum mechanical study using filter diagonalization (1996) (41)
Collisional excitation of interstellar formaldehyde (1978) (41)
Classical trajectory study of rotational excitation in low energy HeCO and HeH2 collisions (1974) (40)
The reactive flux correlation function for collinear reactions H + H2, Cl + HCl and F + H2 (1987) (39)
Optimized preconditioners for Green function evaluation in quantum reactive scattering calculations (1997) (39)
A classical approach to dissociative electron attachment DA: application to temperature effects in the DA cross section of CF3Cl (1996) (39)
Partial averaging in classical S-matrix theory. Vibrational excitation of H2 by He (1973) (39)
RESONANCES IN THE SCATTERING OF ELECTRONS FROM ATOMS. (1966) (38)
Application of the semiclassical perturbation approximation to scattering from surfaces. Generalization to include phonon inelasticity (1984) (38)
Unified semiclassical perturbation and infinite order sudden approximation, with application to the reaction path Hamiltonian model (1981) (37)
Calculation of semiclassical eigenvalues with one arbitrary trajectory (1984) (37)
Efficient polynomial expansion of the scattering Green’s function: Application to the D+H2(v=1) rate constant (1994) (36)
Differential cross section (angular distribution) for the reaction H+H2(v=j=0)→H2(v′, ODD j′)+H in the energy range 0.90-1.35 eV (1989) (36)
Infrared laser induced chemical reactions (1978) (36)
Application of a semiclassical model for the second-quantized many-electron Hamiltonian to nonequilibrium quantum transport: the resonant level model. (2011) (35)
Dynamical effects of symmetry along a reaction path: mode specificity in the unimolecular dissociation of formaldehyde (1983) (35)
Semiclassical eigenvalues for potential functions defined on a finite interval (1977) (34)
Vibrational relaxation in the para‐H2–4He system: Comparison of coupled‐channel, coupled‐states, and effective potential methods (1978) (34)
Penning ionization of H2 by He(2 3S): Quantum mechanical scattering calculations within the rigid‐rotor approximation (1977) (34)
A symmetrical quasi-classical windowing model for the molecular dynamics treatment of non-adiabatic processes involving many electronic states. (2019) (34)
Improved Equation for Lower Bounds to Eigenvalues; Bounds for the Second‐Order Perturbation Energy (1969) (34)
A unified model for diffractive and inelastic scattering of a light atom from a solid surface (1979) (33)
SYSTEM-BATH DECOMPOSITION OF THE REACTION PATH HAMILTONIAN FOR POLYATOMIC SCATTERING; QUANTUM PERTURBATIVE TREATMENT (1982) (33)
Application of the semiclassical initial value representation and its linearized approximation to inelastic scattering (1999) (33)
Test of the quantum instanton approximation for thermal rate constants for some collinear reactions. (2004) (33)
State-specific reaction probabilities from a DVR-ABC Green function (1993) (33)
Semiclassical initial value representation for the Boltzmann operator in thermal rate constants (2002) (32)
State-to-state reaction probabilities for H− + H2, D2 collisions (1993) (32)
Additional WKB Inversion Relations for Bound‐State and Scattering Problems (1971) (32)
Semiclassical Approximation for the Total Cross Section of Atom–Diatomic‐Molecule Collisions; Quenching of Glory Undulations (1969) (31)
QUANTUM MECHANICAL CALCULATION OF THE RAT CONSTANT FOR THE REACTION H+O2OH+O (1994) (31)
Final state-selected spectra in unimolecular reactions: A transition-state- based random matrix model for overlapping resonances (1995) (31)
Quantum mechanical reactive scattering via exchange kernels: Infinite order exchange on a grid (1985) (31)
Resonant features in the energy dependence of the rate of ketene isomerization (1995) (31)
Resonance effects in the semiclassical theory of electronically nonadiabatic collision processes (1978) (30)
Dipole-Dipole Correlation in Nematic Liquid Crystals (1980) (30)
A phase space sampling approach to equilibrium semiclassical statistical mechanics (1977) (30)
CALCULATION OF SIEGERT EIGENVALUES FOR MOLECULAR SYSTEMS: RESULTS FOR He(21/3S) + H (1979) (30)
Time‐independent quantum dynamics for diatom–surface scattering (1993) (30)
Proton-transfer dynamics in the activation of cytochrome P450eryF. (2002) (30)
Trajectory-adjusted electronic zero point energy in classical Meyer-Miller vibronic dynamics: Symmetrical quasiclassical application to photodissociation. (2019) (29)
Generalization of the Linearized Approximation to the Semiclassical Initial Value Representation for Reactive Flux Correlation Functions (1999) (29)
Ultrafast non-adiabatic dynamics of systems with multiple surface crossings: a test of the Meyer-Miller Hamiltonian with semiclassical initial value representation methods (2001) (29)
An approach for generating trajectory-based dynamics which conserves the canonical distribution in the phase space formulation of quantum mechanics. I. Theories. (2011) (28)
Semiclassical calculation of Franck-Condon intensities for reactive systems (1996) (28)
A semiclassical model for intramolecular vibrational relaxation of local mode overtone in polyatomic molecules (1985) (28)
Linearized semiclassical initial value time correlation functions with maximum entropy analytic continuation. (2008) (27)
Quantum time evolution in time‐dependent fields and time‐independent reactive‐scattering calculations via an efficient Fourier grid preconditioner (1995) (27)
Quantum Mechanical Rate Constants for O + OH h H + O2 for Total Angular Momentum J > 0 (1998) (27)
Quantum reaction rate from higher derivatives of the thermal flux-flux autocorrelation function at time zero. (2005) (27)
Penning ionization of H2 by He*: Calculation of anomalous structure in the singlet interaction potential (1977) (27)
Quantum reactive scattering calculations of Franck—Condon factors for the photodetachment of H2F− and D2F− and comparisons with experiment (1991) (27)
An approach for generating trajectory-based dynamics which conserves the canonical distribution in the phase space formulation of quantum mechanics. II. Thermal correlation functions. (2011) (26)
Classical models for electronic degrees of freedom: The second‐quantized many‐electron Hamiltonian (1986) (26)
Semiclassical theory of diffraction in elastic scattering (1975) (25)
The symmetrical quasi-classical approach to electronically nonadiabatic dynamics applied to ultrafast exciton migration processes in semiconducting polymers. (2018) (25)
Multichannel distorted wave Born approximation for reactive scattering (1983) (25)
A semiclassical multichannel branching model for describing state‐specific unimolecular decomposition and other dynamical processes in polyatomic molecular systems (1982) (24)
PROGRESS IN THE APPLICATION OF CLASSICAL S-MATRIX THEORY TO INELASTIC COLLISION PROCESSES (1980) (24)
Application of the forward-backward initial value representation to molecular energy transfer (1999) (24)
Reply to comment on: Accurate three-dimensional quantum scattering calculations for F+H2→HF+H (1989) (24)
Initial state‐selected reaction probabilities for OH+H2→H+H2O and photodetachment intensities for HOH− 2 (1994) (24)
Time-dependent importance sampling in semiclassical initial value representation calculations for time correlation functions. (2011) (23)
Quantum statistics and classical mechanics : Real time correlation functions from ring polymer molecular dynamics (2002) (23)
Classical S‐matrix calculation for vibrationally inelastic transitions in three dimensional collisions of Li+ with H2 (1974) (23)
Modified classical S matrix for tunneling in the collinear H + H2 reaction (1974) (22)
Comment on: Resonance structure in the energy dependence of state-to-state differential scattering cross sections for the (1990) (22)
A semiclassical model to incorporate multidimensional tunneling in classical trajectory simulations using locally conserved actions (1993) (22)
Theoretical calculation of photodetachment intensities for H3O (1996) (21)
Quantum and Semiclassical Theories of Chemical Reaction Rates (1995) (21)
THICK TARGET BREMSSTRAHLUNG SPECTRA FOR 1.00-,1.25-, AND 1.40-MEV ELECTRONS (1954) (21)
Quantum mechanical calculation of resonance tunneling in acetylene isomerization via the vinylidene intermediate (1998) (21)
Reaction Path Hamiltonian for Polyatomic Systems: Further Developments and Applications (1981) (21)
EXCHANGE REACTIONS OF DIIODOTYROSINE. (1944) (21)
Dynamics of the photodissociation of triplet ketene (1996) (21)
Orientational Order in Binary Mixtures of Nematic Liquid Crystals (1984) (21)
Reactive scattering theory for molecular transitions in time‐dependent fields (1995) (21)
QUANTUM MECHANICAL THEORY OF COLLISIONAL RECOMBINATION RATES (1995) (20)
The Quantum Instanton (QI) Model for Chemical Reaction Rates: The "Simplest" QI with One Dividing Surface † (2004) (20)
On the existence of semiclassical eigenvalues for irregular spectra (1976) (20)
Semiclassical trajectory calculations of helium scattering from W(112) (1974) (20)
New Equation for Lower Bounds to Eigenvalues with Application to the Helium Atom (1965) (20)
“Direct” Calculation of Thermal Rate Constants for the F + H2 → HF + F Reaction (1998) (20)
Renormalization of the frozen Gaussian approximation to the quantum propagator. (2011) (20)
Quantum and semiclassical Green's functions in chemical reaction dynamics (1997) (20)
Effect of fluctuations in state-specific unimolecular rate constants on the pressure dependence of the average unimolecular reaction rate (1988) (20)
Recent Advances In Quantum Mechanical Reactive Scattering Theory, Including Comparison Of Recent Experiments With Rigorous Calculations Of State-To-St (1990) (19)
Quasi-adiabatic basis functions for the S-matrix Kohn variational approach to quantum reactive scattering (1990) (19)
Quantum mechanical reactive scattering via exchange kernels: comparison of grid versus basis set expansion of the exchange interaction (1986) (19)
On the Variation—Perturbation Method for Excited States (1966) (19)
System‐bath decomposition of the reaction path Hamiltonian. II. Rotationally inelastic reactive scattering of H+H2 in three dimensions (1983) (19)
Collision induced absorption spectra for gas phase chemical reactions in a high power IR laser field (1980) (18)
Comment on: ‘‘Quantum scattering via the S‐matrix version of the Kohn variational principle’’ (1988) (18)
QUANTUM CORRECTIONS (WITHIN THE CLASSICAL PATH APPROXIMATION) TO THE BOLTZMANN DENSITY MATRIX (1972) (18)
Classical formulation of the spectroscopy of nonadiabatic excited-state dynamics (1993) (18)
A classical model for time- and frequency-resolved spectroscopy of nonadiabatic excited-state dynamics (1992) (17)
Effect of reaction path curvature and dimensionality on the accuracy of classical transition state theory (1982) (17)
Block Lanczos approach combined with matrix continued fraction for the S‐matrix Kohn variational principle in quantum scattering (1989) (17)
Chemical reaction rates using the semiclassical Van Vleck initial value representation. (2007) (17)
Erratum: “On the ‘direct’ calculation of thermal rate constants. II. The flux-flux autocorrelation function with absorbing potentials, with application to the O+HCl→OH+Cl reaction” [J. Chem. Phys. 106, 142 (1997)] (1997) (17)
A semiclassical study of the thermal conductivity of low temperature liquids. (2011) (16)
A collocation approach for quantum scattering based on the S‐matrix version of the Kohn variational principle (1989) (16)
A Cartesian classical second-quantized many-electron Hamiltonian, for use with the semiclassical initial value representation. (2012) (16)
A pointwise representation of the s-matrix Kohn variational principle for quantum scattering (1988) (16)
Semiclassical description of vibrational quantum coherence in a three dimensional I(2)Ar(n) (n < or = 6) cluster: a forward-backward initial value representation implementation. (2009) (16)
Quantum mechanical reaction probabilities with a power series Green’s function (1993) (15)
Potential curves and inelastic cross sections for low energy collisions of O+ and He (1973) (15)
A quasi-classical mapping approach to vibrationally coupled electron transport in molecular junctions. (2014) (14)
Classical trajectory models for electronically nonadiabatic collision processes: A classical valence bond model for electronic degrees of freedom (1981) (14)
Opportunities for installed combined heat and power (CHP) to increase grid flexibility in the U.S. (2021) (14)
Response to “Comment on ’On the relation between unimolecular reaction rates and overlapping resonances’ ” [J. Chem. Phys. 106, 4810 (1997)] (1997) (13)
Spin-orbit and diagonal born-oppenheimer corrections for the reaction F + H2 → HF + H (1986) (13)
A Cartesian quasi-classical model to nonequilibrium quantum transport: the Anderson impurity model. (2012) (13)
A classical approach to resonant low-energy electron scattering off molecules: application to the a1-shape resonance of CF3CL (1997) (13)
CLASSICAL MODEL FOR ELECTRONICALLY NON-ADIABATIC COLLISION PROCESSES: RESONANCE EFFECTS IN ELECTRONIC-VIBRATIONAL ENERGY TRANSFER (1981) (12)
ELEVEN-MEV THICK TARGET BREMSSTRAHLUNG (1953) (12)
Quantum-mechanical rates for gas-surface processes (1994) (12)
Path-integral virial estimator for reaction-rate calculation based on the quantum instanton approximation. (2005) (12)
Some new classical and semiclassical models for describing tunneling processes with real-valued classical trajectories (2001) (12)
Geminate recombination of iodine atoms in solution: A generalized langevin treatment including the effect of electronically inelastic transitions (1984) (12)
The stark effect in molecular crystals and the internal field (1977) (12)
Possibility of Extracting Anisotropy Parameters from the M Dependence of Total Cross-Section Measurements (1969) (11)
Statistical sampling of semiclassical distributions: Calculating quantum mechanical effects using Metropolis Monte Carlo (2002) (11)
Optimal choice of dividing surface for the computation of quantum reaction rates. (2004) (11)
Classical model for electronic degrees of freedom: charge transfer in Na + I collisions (1982) (11)
Semiclassical perturbation scattering by a rigid dipole (1975) (11)
Reaction Path Models for Polyatomic Reaction Dynamics-- from Transition State Theory to Path Integrals (1986) (10)
Reply to a Comment by Milonni on ‘‘A classical/semiclassical theory for the interaction of infrared radiation with molecular systems’’ (1980) (9)
Extension of Gay's Equation for Lower Bounds to Eigenvalues (1968) (9)
Symmetry-adapted transition-state theory and a unified treatment of multiple transition states (1983) (9)
Erratum: ``Forward-backward initial value representation for semiclassical time correlation functions'' [J. Chem. Phys. 110, 6635 (1999)] (1999) (9)
Analysis of the generalized Stueckelberg method of non-adiabatic transitions (1979) (9)
Gaussian approximation for the structure function in semiclassical forward-backward initial value representations of time correlation functions. (2009) (9)
Comparison of the Gaussian and Bessel Function Exchange Functionals with the Hartree-Fock Exchange for Molecules (1995) (9)
Comparison of quantum scattering calculations for the H + H2 reaction using the LSTH and DMBE potentials (1990) (9)
Classical‐Limit Quantization of Nonseparable Systems: Multidimensional WKB Perturbation Theory (1972) (9)
Quantum mechanical theory of collisional recombination rates. Part 2.—Beyond the strong collision approximation (1995) (9)
Time-dependent importance sampling in semi-classical initial value representation calculations for time correlation functions. III. A state-resolved implementation to electronically non-adiabatic dynamics (2013) (8)
Final‐State Interactions in Collisions of an Atom and a Diatomic Molecule (1969) (8)
Time-dependent importance sampling in semiclassical initial value representation calculations for time correlation functions. II. A simplified implementation. (2012) (8)
Simple error bound for coupled-channel scattering calculations (1971) (8)
Calculation of elastic constants of nematic liquid crystals using an anisotropic lennard-jones potential (1982) (8)
Classical Limit of Fredholm Theory for Elastic and Inelastic Scattering; Inability of Phase Space Integrals to Describe Inelastic Transitions (1972) (7)
Classical models for electronic degrees of freedom: Quenching of Br*(2P1/2) by collision with H2 in three dimensions (1984) (7)
Expansion of exchange kernels for reactive scattering (1979) (7)
Open-Channel Projectors for Rearrangement Processes in Molecular Collisions (1972) (7)
ACCURACY OF TRANSITION STATE THEORY FOR THE THRESHOLD OF CHEMICAL REACTIONS WITH ACTIVATION ENERGY: COLLINEAR AND THREE DIMENSIONAL H + H2 (1974) (7)
Classical Trajectory Studies of the Molecular Dissociation Dynamics of Formaldehyde: H2CO H2 + CO (1992) (6)
Molecular ramsauer-townsend effect in very low energy 4He-4He scattering (1971) (6)
Classical mapping for Hubbard operators: application to the double-Anderson model. (2014) (6)
Question of mode-specificity in unimolecular reaction dynamics (1983) (6)
DIFFERENTIAL CROSS-SECTION MEASUREMENTS FOR 1-MEV BREMSSTRAHLUNG (1954) (6)
Semiclassical theories and quantum hardwall calculation of atom surface scattering (1976) (6)
Beyond transition state theory: Rigorous quantum approaches for determining chemical reaction rates (1995) (6)
A kinetic energy fitting metric for resolution of the identity second-order Møller-Plesset perturbation theory. (2011) (6)
Some New Approaches to Semiclassical and Quantum Transition State Theory (1991) (6)
The semiclassical initial value representation for including quantum effects in molecular dynamics simulations (1998) (5)
Using a family of dividing surfaces normal to the minimum energy path for quantum instanton rate constants. (2006) (5)
Symmetry-adapted transition-state theory: nonzero total angular momentum (1983) (5)
A New Helicity Representation for Reactive Atom-Diatom Collisions (1977) (5)
The high-resolution spectroscopy of dissociating molecules (1990) (5)
Thermal and Microcanonical Rates of Unimolecular Reactions from an Energy Diffusion Theory Approach (1999) (5)
A new variational expression for the scattering matrix (1988) (5)
On the Absence of Anomalous Singularities in the S‐Matrix Version of the Kohn Variational Principle for Quantum Scattering (1989) (5)
Theoretical Chemistry via Minicomputer (1977) (5)
Cumulative and State-to-State Reaction Probabilities via a Discrete Variable Representation — Absorbing Boundary Condition Green’s Function (1992) (5)
Luminescence properties of LaF3:Ce nanoparticles encapsulated by oleic acid (2014) (5)
A journey through chemical dynamics. (2014) (4)
On the possibility of direct solution of the classical Liouville equation for inelastic molecular collisions; the reduced Liouville equation (1978) (4)
Analytic continuation of real-time correlation functions to obtain thermal rate constants for chemical reaction (1999) (4)
RELATIVE BACK-SCATTERING OF ELECTRONS AND POSITRONS (1951) (4)
Reaction Paths and Surfaces for Hydrogen Atom Transfer Reactions in Polyatomic Molecules (1986) (4)
Complex log derivative method for nonreactive coupled-channel scattering calculations (1991) (4)
Quantum reactive scattering via the /ital S/-matrix version of the Kohn variational principle: Differential and integral cross sections for D+H/sub 2/ /r arrow/HD+H (1989) (4)
Possibility of Extracting Anisotropy Parameters from Total Cross‐Section Measurements. II (1969) (3)
Comment on: A corrected exponential power series expansion of the position matrix elements of the time evolution operator for a system in the presence of a vector potential (1991) (3)
Quantifying the extent of recrossing flux for quantum systems (2005) (3)
A semiclassical correction for quantum mechanical energy levels. (2010) (3)
Semiclassical eigenvalues for rotating triatomic molecules (1979) (2)
Recent Developments in the Quantum Mechanical Theory of Chemical Reaction Rates (1995) (2)
SEMICLASSICAL TREATMENT OF ATOM-ASYMMETRIC ROTOR COLLISIONS, ROTATIONAL EXCITATION OF FORMALDEHYDE AT LOW ENERGIES (1975) (2)
ON THE REFLECTION PROBABILITY IN ELASTIC SCATTERING PROCESSES AS OBTAINED VIA THE ABSORBING BOUNDARY CONDITIONS-DISCRETE VARIABLE REPRESENTATION (ABC- DVR) GREEN FUNCTION FORMALISM (1997) (2)
Theoretical Models for Reaction Dynamics in Polyatomic Molecular Systems (1989) (2)
S-Matrix Version of the Kohn Variational Principle for Quantum Scattering Theory of Chemical Reactions (1992) (2)
Using the thermal Gaussian approximation approximation for the Boltzmann Operator in Semiclassical Initial Value Time Correlation Functions (2006) (2)
International Symposium on Gas Kinetics (8th) Held in Nottingham, England on 15-20 July 1984. Abstracts (1984) (2)
The Initial Value Representation of Semiclassical Theory -- A Practical Way for Adding Quantum Effects to Classical Molecular Dynamics Simulations of Complex Molecular Systems (2008) (2)
Using classical mechanics in a quantum framework. Perspective on “Semiclassical description of scattering” (2000) (2)
Reaction Dynamics in Polyatomic Molecular Systems: Some Approaches for Constructing Potential Energy Surfaces and Incorporating Quantum Effects in Classical Trajectory Simulations (1992) (2)
Vinylidene : A Very Shallow Minimum on the C 2 H 2 Potential Energy Surface . Static and Dynamical Considerations (2001) (2)
VINYLIDENE: A SHALLOW MINIMUM ON THE C2H2 POTENTIAL ENERGY SURFACE. STATIC AND DYNAMICAL CONSIDERATIONS (1980) (2)
Quantum Theory of Chemical Reaction Rates (1995) (2)
Path integral evaluation of the kinetic isotope effects based on the quantum instanton approximation (2006) (1)
Current Status and Future Perspectives of Electron Interactions with Molecules , Clusters , Surfaces , and Interfaces (2000) (1)
Quantum Mechanics of Chemical Reactions: Recent Developments in Reactive Scattering and in Reaction Path Hamiltonians (1989) (1)
''Direct'' calculation of thermal rate constants for the F + H{sub 2} {yields} HF + F Reaction (1998) (1)
Chemical Reactions of Polyatomic Molecular Systems (2001) (1)
On the 'Direct' and 'Correct' Calculation of Microcanonical andcanonical rate constants for chemical reactions (1997) (1)
Theoretical Overview of Chemical Dynamics (1995) (1)
Recent Developments in Semiclassical Mechanics: Eigenvalues and Reaction Rate Constants (1976) (1)
Femtosecond photoelectron spectroscopy of the I 2 2 anion : Characterization of the Ã 8 2 P g , 1 / 2 excited state (1999) (1)
Quantum mechanical reactive scattering theory for simple chemical reactions: Recent developments in methodology and applications (1990) (1)
A Schrödinger Equation Analog to the Generalized Langevin Equation of Classical Mechanics, with Application to Reactive Flux Correlation Functions (1987) (1)
Semiclassical methods in chemical dynamics (1985) (1)
Comment on ‘‘Probability oscillations in single pass curve crossings: Semiclassical predictions of nonmonotonic dependence on crossing velocity’’ (1986) (1)
Some New Theoretical Methods for Treating Reaction Dynamics in Polyatomic Molecular Systems (1991) (1)
Infrared laser induced chemical reactions: calculations for X + H/sub 2/. -->. HX + H (1978) (1)
Rates of Chemical Reactions (2002) (1)
Reactive flux correlations functions and Monte Carlo evaluation of real time path integrals (2008) (1)
Theoretical calculation of photodetachment intensities for H 3 O 2 (1996) (1)
Lawrence Berkeley National Laboratory Recent Work Title The Symmetrical Quasi-Classical Model for Electronically Non-Adiabatic Processes Applied to Energy Transfer Dynamics in Site-Exciton Models of Light-Harvesting Complexes Permalink (2016) (1)
SEMICLASSICAL METHODS IN REACTIVE AND NON-REACTIVE COLLISIONS (1973) (1)
Proceedings of the XIVth Combustion Research Conference (1992) (1)
Semiclassical (SC) Description of Electronically Non-Adiabatic Dynamics via the Initial Value Representation (IVR) (2007) (1)
Specificity in Unimolecular Reaction Dynamics (1983) (0)
A Bessel function representation for semiclassical perturbation scattering (1977) (0)
time correlation function in a single phase space integral--beyond the linearized semiclassical (2007) (0)
Lawrence Berkeley National Laboratory Recent Work Title EFFECT OF ELECTRONIC TRANSITION DYNAMICS ON IODINE ATOM RECOMBINATION IN LIQUIDS Permalink (2012) (0)
Dynamic signatures of electronically nonadiabatic coupling in sodium hydride: a rigorous test for the symmetric quasi-classical model applied to realistic, ab initio electronic states in the adiabatic representation. (2022) (0)
Quantum Mechanical Scattering Theory for Chemical Reactions (1992) (0)
UNIFORM SEMICLASSICAL APPROXIMATION FOR THE ELASTIC SCATTERING AMPLITUDE. (1968) (0)
A Transition State Theory-Based Statistical Distribution of Unimolecular Decay Rates with Application to Unimolecular Decomposition of Formaldehyde. (2010) (0)
Quantum dynamics ofcomplex molecular systems (2005) (0)
On the Quantum Mechanical Theory of Collisional Recombination Rates II. Beyond the Strong Collision Approximation (1995) (0)
ONTHEPOSSIBILI~OFCALCULAT~G-SIEGERTEIGEN~ALUES FORdUTC+ObZINGELECTRONICSTATES (1978) (0)
Berkeley Labo Materials & Molecular Research (2013) (0)
Dynamic signature of electronically nonadiabatic coupling in sodium hydride: a rigorous test for the symmetric quasi-classical model applied to realistic, ab initio electronic states. (2021) (0)
Separable basis analysis of the three-body problem as applied to the O+HCl--OH+Cl reaction (1997) (0)
On the Position of the Axes of Optical Elasticity in Crystals belonging to the Oblique-Prismatic System (0)
Using the Initial Value Representation of Semiclassical Theory to Add Quantum Effects to Classical Molecular Dynamics Simulations (2013) (0)
Theoretical treatment of quenching in O($sup 1$D) + N$sub 2$ collisions (1975) (0)
Reaction dynamics in polyatomic molecular systems (1993) (0)
TWO-PHASE FLOW DYNAMICS BY REAL-TIME NEUTRON IMAGING IN OSCILLATING HEAT PIPE (2008) (0)
Penning ionization of H/sub 2/ by He*: Calculation of anomalous structure in the singlet interaction potential. [Potential energy surface] (1977) (0)
Materials and Molecular Research Division annual report 1975. [Summaries of research activities at Lawrence Berkeley Laboratory, University of California] (1975) (0)
PROOF BY LOWER BOUND METHODS THAT NO SINGLY-EXCITED BOUND STATES EXIST IN H(-) (1965) (0)
How a skyrmion can appear both massive and massless (2022) (0)
SYSTEM-BATH DECOMPOSITION OF THE REACTION PATH HAMILTONIAN. II. ROTATIONALLY INELASTIC TRANSITIONS IN THE 3-d H + H2 REACTION (1983) (0)
COMMENT ON: COMPARISON OF POSITIVE FLUX OPERATORS FOR TRANSITION STATE THEORY USING A SOLVABLE MODEL BY J.G. MUGA ET AL. (1996) (0)
Comment on: accurate three-dimensional quantum scattering calculations for F+H2→HF+H. Reply (1989) (0)
COMP 214-Efficient estimators for quantum instanton evaluation of the kinetic isotope effects (2008) (0)
QUANTUM REACTIVE SCATTERING VIA THE S-MATRIX VERSION OF THE KOHN VARIATIONAL PRINCIPLE: INTEGRAL CROSS SECTIONS FOR H+H,(z+=j,=O)~H&=l, j,=l, 3)+H IN THE ENERGY RANGE &,,,=0.9-1.4 eV (1988) (0)
Quantum mechanical calculation of the rate constant for the reaction H + 02 + OH + 0 Claude Leforestie ? ) (1999) (0)
Note: Another resolution of the identity for two-electron integrals. (2012) (0)
Statistical Theory of Chemical Kinetics : Application to Neutral-Atom — Molecule Reactions (2003) (0)
Comment on ‘‘Comparison of positive flux operators for transition state theory using a solvable model’’ [J. Chem. Phys. 104, 7015 (1996)] (1996) (0)
Semiclassical description of non-adiabatic dynamics - Part II (2007) (0)
QUANTUM MECHANICAL BEACI-IVE SCA-ITEIUNG VIA EXCHANGE KERNELS: COMPARISON OF GRID VEIWdJS BASIS SET EXPANSION OF Ti-IE EXCHANGE INTERACTION (1986) (0)
Femtosecond photoelectron spectroscopy of the I{sub 2 sup -}anion:Characterization of A{prime} doublet Pi (g,1/2) excited state (1998) (0)
Lawrence Berkeley Laboratory Some New Approaches to Semiclassical and Quantum Transition State Theory (2013) (0)
Classical Models for Electronic Degrees of Freedom : Derivation viaSpin Analogy and Application to * 1 4 F + H 2-3 F + H 2 (2012) (0)
Full-dimensional quantum calculations of the rate constant for the HO+H2 -> H2O+H reaction (1993) (0)
DYNAMIC EFFECTS OF SYMMETRY ALONG A REACTION PATH: MODE SPECIFICITY IN THE UNIMOLECULAR DISSOCIATION OF FORMALDEHYDE (1983) (0)
CLASSICAL-LIMIT QUANTIZATION OF NON-SEPARABLE SYSTEMS: PHASE SPACE DEEIVATION AM) ITS EQUIVALENCE TO THE DYNAMICAL QUANTUM CONDITION (1971) (0)
An Analysis of the IR and Raman Spectra of the Formic Acid Dimer (HCOOH)2 (1988) (0)
QUANTUM MECHANICAL REACTIVE SCATTERING THEORY, Including Comparison of Recent Experiments with Rigorous Calculations of State-to-State Cross Sections for the (1990) (0)
MOLECULAR RAMSAUER-'OWNSEND EFFECT IN VERY LOW ENERGY He - He 4 SCATTERING (2012) (0)
Semiclassical transition state theory calculations of thermal rate constants for the OH + H2 --> H2O + H reaction (1997) (0)

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