Robert E. Wyatt
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Professor of chemistry
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Chemistry
Why Is Robert E. Wyatt Influential?
(Suggest an Edit or Addition)According to Wikipedia, Robert Eugene Wyatt is an emeritus Professor of Chemistry at the University of Texas at Austin, Department of Chemistry and Biochemistry. Work Wyatt's work is focussed on theoretical chemistry, including the quantum theory of chemical reactions and the theory of intramolecular energy transfer. His research has covered, among others, the trajectory method of Bohmian mechanics, based on work by Louis de Broglie, Erwin Madelung and David Bohm. The method, found to be computationally more efficient than methods that are based on a direct solution of the time-dependent Schrödinger equation, has found wide acceptance by theoretical chemists.
Robert E. Wyatt'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
- Dynamics of molecules and chemical reactions (1996) (472)
- Quantum Wave Packet Dynamics with Trajectories (1999) (325)
- Corresponding Orbitals and the Nonorthogonality Problem in Molecular Quantum Mechanics (1967) (232)
- Dynamics of the Collinear H+H2 Reaction. I. Probability Density and Flux (1971) (216)
- New Approach to Many-State Quantum Dynamics: The Recursive-Residue-Generation Method (1983) (209)
- History of H3 Kinetics (1976) (186)
- Quantum Dynamics with Trajectories: Introduction to Quantum Hydrodynamics (2005) (183)
- Optical potential for laser induced dissociation (1983) (171)
- Quantum scattering via the log derivative version of the Kohn variational principle (1988) (160)
- Quantum mechanical reaction cross sections for the three‐dimensional hydrogen exchange reaction (1975) (142)
- Experimental Studies and Theoretical Predictions for the H + D2 → > HD + D Reaction (1995) (139)
- Quantum Dynamics of the Collinear (H, H2) Reaction (1969) (118)
- Quantum wave packet dynamics with trajectories: Application to reactive scattering (1999) (112)
- Quantum resonance structure in the three-dimensional F + H2 reaction (1979) (107)
- Quantum wavepacket dynamics with trajectories: wavefunction synthesis along quantum paths (1999) (101)
- Three‐dimensional natural coordinate asymmetric top theory of reactions: Application to H + H2 (1975) (100)
- Pediatric Oligodendrogliomas: A Study of Molecular Alterations on 1p and 19q Using Fluorescence In Situ Hybridization (2003) (100)
- Quantum wave packet dynamics with trajectories: Implementation with adaptive Lagrangian grids (2000) (99)
- Electronic transitions with quantum trajectories. II (2001) (93)
- Quantum molecular dynamics in intense laser fields: Theory and applications to diatomic molecules (1981) (88)
- Calculations relating to the experimental observation of resonances in the H+H2 reaction (1989) (85)
- Quantum Mechanics of the H+H2 Reaction: Investigation of Vibrational Adiabatic Models (1969) (82)
- Quantum dynamics of the F+H2 reaction: Resonance models, and energy and flux distributions in the transition state (1978) (77)
- Integrated and Integral Hellmann—Feynman Formulas (1967) (70)
- A new method for wave packet dynamics: Derivative propagation along quantum trajectories (2003) (70)
- QUANTUM REACTIVE SCATTERING VIA THE LOG DERIVATIVE VERSION OF THE KOHN VARIATIONAL PRINCIPLE - GENERAL-THEORY FOR BIMOLECULAR CHEMICAL-REACTIONS (1989) (70)
- Theory of laser-molecule interaction: The recursive-residue-generation method (1984) (69)
- Quantum mechanical study of the Ã1A″→X̃1Σ+ sep spectrum for HCN (1989) (65)
- Translational basis set contraction in variational reactive scattering (1990) (62)
- Study, extension, and application of Floquet theory for quantum molecular systems in an oscillating field (1983) (62)
- Lasers, molecules, and methods (1989) (61)
- Quantum dynamics of overtone relaxation in benzene. II. 16 mode model for relaxation from CH(v=3) (1992) (58)
- Quantum dynamics of the H+D2→D+HD reaction: Comparison with experiment (1991) (57)
- Semiclassical determination of adiabatic barriers on a three‐dimensional potential energy surface (1983) (54)
- Integrating the quantum Hamilton–Jacobi equations by wavefront expansion and phase space analysis (2000) (54)
- Dynamics of the Collinear H+H2 Reaction. II. Energy Analysis (1971) (52)
- Wave operator and artificial intelligence contraction algorithms in quantum dynamics: Application to CD3H and C6H6 (1993) (52)
- An arbitrary Lagrangian–Eulerian approach to solving the quantum hydrodynamic equations of motion: Equidistribution with “smart” springs (2003) (49)
- Quantum ergodicity and the wigner distribution (1980) (47)
- Quantum ergodicity for time-dependent wave-packet dynamics (1981) (46)
- A finite basis‐discrete variable representation calculation of vibrational levels of planar acetylene (1992) (45)
- Direct computation of quantal rate constants: Recursive development of the flux autocorrelation function (1985) (45)
- Quantum mechanical and quasiclassical calculations for the H+D2→HD+D reaction: Reaction probabilities and differential cross sections (1994) (44)
- Toward ab Initio Intramolecular Dynamics (1995) (43)
- Time‐dependent quantum mechanical study of intramolecular vibrational energy redistribution in benzene (1993) (43)
- Quantum wave packet dynamics with trajectories: Implementation with distributed approximating functionals (2000) (42)
- Quantum trajectories in complex space (2007) (42)
- Quantum trajectory analysis of multimode subsystem-bath dynamics. (2001) (42)
- Preselecting paths for multiphoton dynamics using artificial intelligence (1986) (42)
- Jz conserving approximation for the hydrogen exchange reaction (1976) (41)
- Quantum trajectories in complex phase space: multidimensional barrier transmission. (2007) (41)
- Computational method for the quantum Hamilton-Jacobi equation: bound states in one dimension. (2006) (39)
- Theoretical study of the IR absorption spectrum of HCN (1988) (38)
- Highly vibrationally excited HCN/HNC: Eigenvalues, wave functions, and stimulated emission pumping spectra (1993) (37)
- Hydrodynamic view of wave-packet interference: quantum caves. (2008) (37)
- Radial basis function interpolation in the quantum trajectory method: optimization of the multi-quadric shape parameter (2003) (37)
- Multidimensional quantum trajectories: applications of the derivative propagation method. (2005) (37)
- Theory of the Origin of the Internal-Rotation Barrier in the Ethane Molecule. II (1965) (37)
- A quantum dynamical study of CH overtones in fluoroform. II. Eigenstate analysis of the vCH=1 and vCH=2 regions (1997) (37)
- Wave packet dynamics on adaptive moving grids (2002) (36)
- H+H2(0,0)→H2(v’, j’)+H integral cross sections on the double many body expansion potential energy surface (1990) (36)
- Analysis of barrier scattering with real and complex quantum trajectories. (2007) (36)
- Coping with the node problem in quantum hydrodynamics: the covering function method. (2004) (36)
- Theory of Three‐Dimensional Reactive Collisions Using Natural Collision Coordinates (1972) (34)
- Computational method for the quantum Hamilton-Jacobi equation: one-dimensional scattering problems. (2006) (34)
- Quantum mechanics of electronic–rotational energy transfer in F(2P)+H2 collisions (1979) (34)
- Surface-of-section analysis in the classical theory of multiphoton absorption☆ (1982) (34)
- Quantum wave packet dynamics with trajectories: reflections on a downhill ramp potential (2000) (34)
- Wavepacket dynamics on dynamically adapting grids: application of the equidistribution principle (2002) (33)
- Detailed dynamics of collinear F+H2 trajectories (1979) (33)
- Stable highly excited vibrational eigenvalues without the variational principle (1986) (33)
- Wavepacket dynamics on arbitrary Lagrangian–Eulerian grids: Application to an Eckart barrier (2003) (33)
- Dynamics of the O(3P)+HCl reaction on the 3A″ electronic state: A new ab initio potential energy surface, quasi-classical trajectory study, and comparison to experiment (1999) (33)
- Evolution of classical and quantum phase-space distributions: A new trajectory approach for phase space hydrodynamics (2003) (33)
- The Recursive Residue Generation Method (2007) (32)
- Stationary approaches for solving the Schrödinger equation with time‐dependent Hamiltonians (1994) (32)
- Barriers to chaotic classical motion and quantum mechanical localization in multiphoton dissociation (1986) (32)
- Information-theoretic analysis of quantum mechanical reaction cross sections (1975) (31)
- Computation of high‐energy vibrational eigenstates: Application to C6H5D (1995) (31)
- A generalized version of the recursive residue generation method for vector computers (1986) (30)
- The diffuse reflectance spectra of some titanium oxides (1963) (29)
- Quantum dynamics of overtone relaxation in benzene. V. CH(v=3) dynamics computed with a new ab initio force field (1993) (28)
- Converged variational quantum scattering results for the three-dimensional F+HD reaction (1990) (28)
- A quantum dynamical study of CH overtones in fluoroform. I. A nine‐dimensional ab initio surface, vibrational spectra and dynamics (1995) (28)
- Mode-selective multiphoton excitation in a model system (1983) (26)
- Semiclassical adiabatic theory of resonances in chemical reactions: Application to 3D H+H2 and F+H2 (1984) (26)
- Natural expansion of vibrational wave functions: RRGM with residue algebra (1986) (26)
- Quantum trajectories in complex space: one-dimensional stationary scattering problems. (2008) (25)
- Complex trajectories sans isochrones: quantum barrier scattering with rectilinear constant velocity trajectories. (2007) (25)
- Sequential versus direct multiphoton absorption (1979) (25)
- Computational study of many‐dimensional quantum vibrational energy redistribution. I. Statistics of the survival probability (1996) (25)
- Iterative solution in quantum scattering theory. The log derivative Kohn approach (1990) (25)
- Quantum dynamics of overtone relaxation in benzene. IV. Relaxation from CH(v=4) (1993) (25)
- Floquet Theory Of The Interaction Of A Molecule With A Laser Field: Techniques And An Application (1980) (24)
- Quantum statistical mechanics via the recursive residue generation method (1985) (24)
- Quantum dynamics of overtone relaxation in benzene. III. Spectra and dynamics for relaxation from CH(v=3) (1993) (24)
- Quantum-mechanical differential reaction cross sections for the F + H2(ν = 0) - FH(ν′= 2.3) + H reaction☆ (1983) (23)
- DWBA study of the collinear H + H2 reaction (1972) (23)
- Electronuclear basis for three‐dimensional electronic nonadiabatic chemical reactions (1977) (23)
- Considerations on the probability density in complex space (2008) (23)
- Quasiclassical dynamics of benzene overtone relaxation on an ab initio force field. I. Energy flow and survival probabilities in planar benzene for CH(v=2,3) (1998) (22)
- Analytical potential surface for the formyl fluoride .fwdarw. hydrogen fluoride + carbon monoxide unimolecular reaction (1993) (22)
- Multidimensional reactive scattering with quantum trajectories: dynamics with 50-200 vibrational modes. (2006) (22)
- Semiclassical prediction of resonance energies in three‐dimensional reactive collisions (1982) (21)
- Inclusion of the geometric phase in quantum reactive scattering calculations: A variational formulation (1994) (21)
- Laser-assisted chemical reactions: Semiclassical approach employing floquet and R-matrix theories (1983) (21)
- A Krylov-subspace Chebyshev method and its application to pulsed laser-molecule interaction (1995) (21)
- Analysis of the Resonance in the Three Dimensional F + H2 Reaction† (1982) (21)
- Quantum mechanical study of the CH(v=2) overtone in 30-mode benzene (1998) (21)
- Classical dynamics of multiphoton dissociation for a model system (1982) (20)
- Fast determination of resonance states in atomic collisions (1970) (20)
- Quantum dynamics of overtone relaxation in 30-mode benzene: A time-dependent local mode analysis for CH(ν=2) (1999) (20)
- Quantum vortices within the complex quantum Hamilton-Jacobi formalism. (2008) (20)
- Artificial intelligence techniques in the study of multiphoton dynamics: Application to a general vibrating-rotating spherical top molecule (1985) (19)
- Lanczos recursion, continued fractions, Padé approximants, and variational principles in quantum scattering theory (1988) (19)
- Quantum functional sensitivity analysis for the collinear H+H2 reaction rate coefficient (1992) (19)
- Quantum interference within the complex quantum Hamilton–Jacobi formalism (2009) (19)
- Investigation of the planar H + H2 reaction near threshold (1974) (18)
- Three-dimensional reaction cross sections from planar scattering data (1974) (18)
- Riccati differential equation for quantum mechanical bound states: Comparison of numerical integrators (2008) (18)
- Hindered asymmetric top states for chemical reactions (1975) (18)
- Wave packet dynamics with adaptive grids: The moving boundary truncation method (2006) (18)
- Iterative methods for solving the non-sparse equations of quantum mechanical reactive scattering (1989) (17)
- Origin of the Barrier Hindering Internal Rotation in Ethane (1964) (17)
- Multilevel adaptive technique for quantum reactive scattering (1987) (17)
- Natural Bifurcation Coordinates for Three‐Dimensional Chemical Reactions (1972) (17)
- Broken Path Model of Reactive Collisions: Application to Collinear (H, H2) (1972) (17)
- Collisional perturbation of regular and irregular intramolecular dynamics: A classical dynamical study (1983) (17)
- Arbitrary Lagrangian–Eulerian rate equation for the Born probability density in complex space (2009) (16)
- Theory, experiment, and the h + d2 reaction. (1994) (16)
- Quantum hydrodynamic analysis of decoherence: quantum trajectories and stress tensor (2002) (15)
- Hydrodynamic analysis of dynamical tunneling (2003) (15)
- Complex-extended Bohmian mechanics. (2010) (15)
- Barrier scattering with complex-valued quantum trajectories: taxonomy and analysis of isochrones. (2008) (15)
- Time propagation and spectral filters in quantum dynamics: A Hermite polynomial perspective (1999) (15)
- Comparison of diatomics-in-molecules and simple valence-bond potential surfaces for FH2 (1976) (15)
- Energy partitioning and normal mode analysis of IVR in 30-mode benzene: overtone relaxation for CH(v=2) (1999) (14)
- Quantum control of I2 wave packet localization in solid argon matrix (2000) (14)
- Trajectory approach to dissipative quantum phase space dynamics: Application to barrier scattering. (2004) (14)
- Generation and interpretation of chain parameters in the recursive residue generation method (1985) (13)
- Adiabatic—sudden transition in chemical reactions: Study of a model for H + H2 (ν =1)☆ (1984) (13)
- Application of the covering function method in quantum hydrodynamics for two-dimensional scattering problems (2004) (13)
- Role of Feshbach resonances in the infrared multiphoton dissociation of small molecules (1985) (13)
- Diagrammatic representation in the recursive residue generation method: Multiphoton excitation of an active mode coupled to a molecular background (1985) (13)
- Application of the moving boundary truncation method to reactive scattering: H + H2, O + H2, O + HD. (2008) (13)
- Quantum dynamics of the three‐dimensional Li+HF reaction: The bending corrected rotating nonlinear model (1987) (13)
- Coupled cluster calculation of the in-plane harmonic force field of benzene (1993) (13)
- Hindered asymmetric top wavefunctions for three‐dimensional H+H2 (1975) (13)
- Classical and quantum phase space evolution: fixed-lattice and trajectory solutions (2004) (12)
- Quantum Hydrodynamic Analysis of Decoherence (2003) (12)
- Importance of linked diagrams in the recursive residue generation method (1986) (12)
- Computation of barrier transmission probabilities from two-dimensional real-valued approximate quantum trajectories (2009) (11)
- Theory of multiphoton excitation of methane in intense laser fields. I. A purely vibrational treatment (1985) (11)
- H + H2: Potential‐Energy Surfaces and Elastic and Inelastic Scattering (2007) (11)
- Time-dependent semiclassical R-matrix theory of multiphoton dissociation (1982) (11)
- Reconstruction of the time-dependent wave function exclusively from position data. (2011) (11)
- Quantum dynamics of the three‐dimensional F+H2 reaction. II. Scattering wave function density and flux analysis (1984) (11)
- Enhanced matrix spectroscopy: The preconditioned Green-function block Lanczos algorithm (1997) (11)
- Feshbach Resonances in Chemical Reactions (1981) (11)
- Multidimensional reactive scattering with quantum trajectories. (2006) (11)
- Computational approach to the Green function in reactive scattering (1982) (11)
- Variational transition state theory calculations of thermal rate coefficients for the O(3P)+HCl reaction (1998) (11)
- Quantum functional sensitivity analysis within the log‐derivative Kohn variational method for reactive scattering (1992) (11)
- Computational investigation of wave packet barrier scattering in the complex plane : Examination of the complex quantum potential utilizing numerical analytic continuation techniques (2008) (10)
- Semiclassical theory of resonances in 3D chemical reactions. I. Resonant periodic orbits for F+H2 (1984) (10)
- Quantum wave packet dynamics on multidimensional adaptive grids: Applications of the moving boundary truncation method (2007) (10)
- Collisional perturbation of quantum regular and irregular intramolecular states: State-to-state study of a model (1984) (10)
- Quantum trajectories for resonant scattering (2001) (10)
- Quasi-classical dynamics of benzene overtone relaxation on an ab initio force field: 30-mode models of energy flow and survival probability for CH(v=2) (1998) (10)
- Asymmetric top states for chemical reactions (1976) (10)
- An approximate three-dimensional quantum mechanical calculation of reactive scattering cross sections for the atomic hydrogen + molecular chlorine(v) .fwdarw. hydrogen chloride(v') + atomic chlorine reaction (1985) (10)
- Computational Investigation of Wave Packet Scattering in the Complex Plane: Propagation on a Grid. (2009) (10)
- Relative performances of the Kohn, Schwinger, and Newton variational principles in scattering theory (1988) (10)
- Generalized hyperbolic coordinates for collinear reactive scattering (1979) (9)
- Hybrid adaptive grid algorithm for wave packet propagation (2004) (9)
- Sudden rotation approximation for nonresonant transitions in an intense laser field (1980) (9)
- Computational study of many-dimensional quantum vibrational energy redistribution. II. Statistics of the spectrum with dynamical Implications (1997) (9)
- Analysis of chaotic eigenfunctions by the natural expansion method (1986) (9)
- A computational model of the vertical anatomical organization of primary visual cortex (1991) (9)
- Multireference configuration‐interaction potential surfaces for the collinear F+H2 reaction (1992) (9)
- THE NEWTON VARIATIONAL FUNCTIONAL FOR THE LOG-DERIVATIVE MATRIX : USE OF THE REFERENCE ENERGY GREEN'S FUNCTION IN AN EXCHANGE PROBLEM (1990) (9)
- Computational Approach To Large Quam Dynamical Problems (1987) (9)
- Approximate hindered asymmetric top wavefunctions for atom-diatomic molecule reactions (1975) (9)
- Quantum dynamics of the three‐dimensional F+H2 reaction. I. Energy partitioning and entropy analysis in the collision complex (1984) (9)
- Predicting observables on different potential energy surfaces using feature sensitivity analysis: Application to the collinear H+H2 exchange reaction (1992) (9)
- Vibrational resonances and IR multiphoton excitation (1985) (8)
- Recursive generation of individual S-matrix elements: Application to the collinear H + H2 reaction☆ (1988) (8)
- Time‐dependent schrödinger equation with Markovian outgoing wave boundary conditions: Applications to quantum tunneling dynamics and photoionization (2013) (8)
- Recursive residue generation method for laser-molecule interaction: utilization of structured sparsity (1985) (8)
- Hindered Rotor States for the Planar H + H2 Reaction (1972) (8)
- Semiclassical dynamics of shock wave propagation in molecular crystals: application to the Morse lattice (1990) (8)
- Time evolution in multi-state quantal systems: Use of irreducible moments (1986) (8)
- Direct-Mode Chemical Reactions I: Methodology for Accurate Quantal Calculations (1979) (8)
- Infrared multiphoton dissociation calculation of a model linear triatomic (1985) (8)
- Influence of rotational states on molecular multiphoton excitation (1986) (8)
- Quantum trajectories from kinematic considerations (2010) (8)
- H3 potential surface in natural collision coordinates (1973) (7)
- Theory of resonances in three‐dimensional chemical reactions. I. Feshbach analysis and computational techniques (1982) (7)
- A quasiclassical trajectory study of the reaction O(3P) + HCl (ν = 2, j = 1, 6, 9) → OH(ν′, j′) + Cl on a new potential surface (1997) (7)
- A Comparison of Quantum, Classical, and Semiclassical Descriptions of a Model, Collinear, Inelastic Collision of Two Diatomic Molecules. (1985) (7)
- Quantum mechanical study of F(2P12) + H2(j = 0) quenching: The role of virtual ortho—para mixing (1979) (7)
- Reactive Scattering Cross Sections II: Approximate Quantal Treatments (1979) (7)
- QUANTUM DYNAMICS WITH LANCZOS SUBSPACE PROPAGATION : APPLICATION TO A LASER-DRIVEN MOLECULAR SYSTEM (1998) (7)
- Differential reaction cross sections in the bending corrected rotating non-linear model: Li + HF → LiF + H (1987) (6)
- QUASI-CLASSICAL AND QUANTUM DYNAMICS OF BENZENE OVERTONE RELAXATION : EARLY TIME (T 240 FS) INTRAMOLECULAR VIBRATIONAL ENERGY REDISTRIBUTION FOR CH(V = 2) IN A 15-MODE MODEL (1999) (6)
- Collisional perturbation of regular and irregular intramolecular dynamics: A model quantum-mechanical study (1984) (6)
- Comparison of close-coupling and approximate methods for F(2P12) + H2 non-reactive collisions: Translational wavefunction analysis☆ (1981) (6)
- One-Electron Perturbations in Self-Consistent Field Theory (1964) (6)
- Quantum Mechanics of Neutral Atom-Diatomic Molecule Reactions (1977) (6)
- Increasing Our Understanding of Biological Models Through Visual and Sonic Representations: a Cortical Case Study (1992) (6)
- Natural expansion of multimode vibrational wavefunctions (1986) (6)
- Quantum streamlines within the complex quantum Hamilton-Jacobi formalism. (2008) (6)
- Quantum mechanical study of a reaction path bifurcation model (1973) (6)
- Dynamics of eigenstate transitions induced by external fields: A new approach (1985) (6)
- Monte Carlo generation of Bohmian trajectories (2008) (6)
- Density and flux analysis for the collinear H + H2, reaction (1982) (5)
- Computational investigation of wave packet scattering in the complex plane: Numerical analytic continuation techniques (2011) (5)
- Quantum mechanical study of multiphoton excitation of the nonrotating OCS molecule (1985) (5)
- Transient Pairs in Gases: Quantum Effects on the Equilibrium Constant for O+H⇆OH* (X 2Πi) (1971) (5)
- Geometric phase in Bohmian mechanics (2010) (5)
- The Schwinger and Newton variational principles for the log‐derivative matrix (1989) (5)
- Torsional eigenvalues of the water trimer on several ab initio potential surfaces (1998) (5)
- A computational model of spindle oscillations (1995) (5)
- A new potential surface for the reaction O(3P) + HCl(X1Σ+) → OH (X2II) + Cl(2P) (1996) (5)
- A two-stage filter for smoothing multivariate noisy data on unstructured grids☆ (2004) (4)
- Quantum Mechanics with Trajectories: Quantum Trajectories and Adaptive Grids (2003) (4)
- Quantum dynamics of intramolecular vibrational energy redistribution for initally excited CC ring modes in 30-mode benzene (1999) (4)
- Semiclassical theory of resonances in 3D reactions. II. Resonant quasiperiodic orbits for F+H2 (1985) (4)
- Local and non-local force analysis for Wigner function barrier scattering (2006) (4)
- Scattered wave packet formalism with markovian outgoing wave boundary conditions for open quantum systems. (2011) (4)
- Decoherence demystified : The hydrodynamic viewpoint (2002) (4)
- Three‐dimensional quantum mechanical studies of the H + H2 and F + H2 reactions (2009) (4)
- Computational Investigation of Wave Packet Scattering in the Complex Plane: Dynamics of Exact Quantum Trajectories. (2009) (4)
- Semiclassical wavepacket construction of quantum resonance states from classical resonant orbits for the F + H2 reaction☆ (1985) (3)
- A computational model of vertical signal propagation in the primary visual cortex (2004) (3)
- Theory of resonances in three‐dimensional chemical reactions. II. Application to a model atom–diatom reaction (1982) (3)
- Scattered-wave-packet formalism with applications to barrier scattering and quantum transistors. (2011) (3)
- A single arrangement variational method for total reaction probabilities (1993) (3)
- The role of basis set expansions in the relative performance of the schwinger and the Newton variation principles (1988) (3)
- Semiclassical cluster model for wave propagation in molecular crystals (1989) (3)
- Quantum Mechanical Study of Chemical Reaction Dynamics (1980) (2)
- Classical and Quantum Mechanical Studies of Molecular Multiphoton Excitation and Dissociation (1982) (2)
- The F+H2→HF+H reaction: classical and quantum reaction dynamics on a new collinear ab initio surface (1991) (2)
- Geometric phase within the complex quantum Hamilton–Jacobi formalism (2010) (2)
- Quantum Dynamics of Overtone Relaxation in Benzene. Part 1. 5 and 9 Mode Models for Relaxation from CH(υ = 3). (1993) (2)
- COMPUTATION OF SEP SPECTRA (1995) (2)
- Trajectory approach to quantum wave packet dynamics: The correlated derivative propagation method (2010) (2)
- Multidimensional reactive scattering with quantum trajectories: dynamics with Morse vibrational modes. (2006) (2)
- Quantum Dynamics With The Recursive Residue Generation Method: Improved Algorithm For Chain Propagators* (1986) (2)
- Comment on \Observing the Average Trajectories of Single Photons in a Two-Slit Interferometer" (2011) (2)
- Applications of automatic differentiation to the time‐dependent Schrödinger equation (2011) (2)
- Generation and Importance of Linked and Irreducible Moment Diagrams in the Recursive Residue Generation Method (1986) (2)
- Quantum Dynamics of the Three-Dimensional F + H2 Reaction: Wavefunction Density Analysis (1981) (2)
- A new general R-matrix theory of collinear reactions and its application to the H + H2 reaction (1990) (2)
- Drawing upon Representations: An Empirical Study of the Depiction of the Human Face (2004) (2)
- Hydrodynamic view of electrodynamics: energy rays and electromagnetic effective stress (2011) (1)
- Time‐independent energy‐sudden transformationa) (1983) (1)
- Comparison of quantum, classical, and semiclassical descriptions of a model, collinear, inelastic collision of two diatomic molecules. Memorandum report (1985) (1)
- Quantum correlations in a model for multiple‐photon absorption (1988) (1)
- Determination of spectroscopic constants and anharmonic force-fields for HOCl and DOCl using scaled external correlation (1999) (1)
- A single arrangement variational method for reactive scattering: Total and state‐resolved reaction probabilities (1994) (1)
- Scattered wave packet formalism for open quantum systems: Comparison with the non-Markovian time-dependent Schrödinger equation (2012) (1)
- Discretization of a continuum coupled to a discrete state by tridiagonalizing the Schrödinger equation (1988) (1)
- Recursive generation of individual S-matrix elements: application to inelastic collisions (1988) (1)
- The short story of my life and my career in quantum propagation. (2007) (1)
- Effect of Diagonal and Off-Diagonal Disorder in the Multiphoton Excitation of an Active Mode Coupled to a Bath: Use of the Irreducible Recursive Residue Generation Method (1987) (1)
- Wave front-ray synthesis for solving the multidimensional quantum Hamilton-Jacobi equation. (2011) (1)
- Resonant Quasi-periodic and Periodic Orbits: For the Three-Dimensional Reaction of Fluorine Atoms with Hydrogen Molecules (1984) (1)
- Scattered wave packet formalism for the energy-resolved reaction probability (2012) (1)
- Quantum Dynamics of Overtone Relaxation in Benzene. Part 3. Spectra and Dynamics for Relaxation from CH(υ = 3). (1993) (0)
- Neural Orchestration: From Cortical Simulation to Cortical Symphony (1991) (0)
- Effect of basis set non-orthogonality in the Wigner R-matrix theory of scattering (1988) (0)
- Observation of a stripping threshold for the reaction N 2 + + CH 4 ~ N 2 H + + CH 3 (2014) (0)
- Theory, Experiment, and the H + D 2 Reaction (1994) (0)
- Computational Study of Many-Dimensional Quantum Energy Flow: From Action Diffusion to Localization [Phys. Rev. Lett. 74, 3720 (1995)] (1995) (0)
- Three-dimensional quantum mechanical studies of the H + H$sub 2$ and F + H$sub 2$ reactions (1975) (0)
- Recent Applications of the Quantum Trajectory Method (2002) (0)
- Uniqueness of Bohmian Mechanics, and Solutions From Probability Conservation (2007) (0)
- Experimental Studies and Theoretical Predictions for the H + D2 rarr > HD + D Reaction. (1995) (0)
- Time-dependent quantum mechanics on supercomputers (1988) (0)
- A new potential surface for the reaction (1996) (0)
- Visualizing the Energetics of the Dissociation of a Metastable Molecule (2004) (0)
- How Variational Methods in Scattering Theory Work (1989) (0)
- Quantum mechanics of electronic-rotational energy transfer in F(/sup 2/P) + H/sub 2/ collisions (1977) (0)
- Semiclassical dynamics of shock wave propagation and energy redistribution among vibrational modes in a morse molecular lattice (1992) (0)
- Computational methods for reactive scattering. [Vibrational resonance] (1977) (0)
- Pattern prediction in collinear atom-diatom trajectories (1980) (0)
- Computational methods for reactive scattering (2009) (0)
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