Hans‐dieter Meyer
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(Suggest an Edit or Addition)Hans‐dieter Meyer'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
- The multi-configurational time-dependent Hartree approach (1990) (1391)
- Wave‐packet dynamics within the multiconfiguration Hartree framework: General aspects and application to NOCl (1992) (773)
- Multidimensional Quantum Dynamics (2009) (465)
- Calculation of resonance energies and widths using the complex absorbing potential method (1993) (429)
- Quantum molecular dynamics: propagating wavepackets and density operators using the multiconfiguration time-dependent Hartree method (2003) (425)
- Variational quantum approaches for computing vibrational energies of polyatomic molecules (2008) (374)
- Molecular dynamics of pyrazine after excitation to the S2 electronic state using a realistic 24-mode model Hamiltonian (1999) (356)
- Multilayer multiconfiguration time-dependent Hartree method: implementation and applications to a Henon-Heiles hamiltonian and to pyrazine. (2010) (251)
- Approaches to the approximate treatment of complex molecular systems by the multiconfiguration time-dependent Hartree method (1999) (220)
- Multidimensional quantum dynamics : MCTDH theory and applications (2009) (216)
- Using the MCTDH wavepacket propagation method to describe multimode non-adiabatic dynamics (2008) (201)
- Scattering Analysis of Cluster Beams: Formation and Fragmentation of Small Ar n Clusters (1984) (201)
- Product representation of potential energy surfaces. II (1996) (200)
- Electron bombardment fragmentation of Ar van der Waals clusters by scattering analysis (1986) (193)
- Full dimensional (15-dimensional) quantum-dynamical simulation of the protonated water dimer. II. Infrared spectrum and vibrational dynamics. (2007) (179)
- Relaxation of a system with a conical intersection coupled to a bath: A benchmark 24-dimensional wave packet study treating the environment explicitly (1998) (179)
- Investigation on the reflection and transmission properties of complex absorbing potentials (1996) (173)
- Calculation and selective population of vibrational levels with the Multiconfiguration Time-Dependent Hartree (MCTDH) algorithm (2006) (171)
- Studying molecular quantum dynamics with the multiconfiguration time‐dependent Hartree method (2012) (169)
- An efficient and robust integration scheme for the equations of motion of the multiconfiguration time-dependent Hartree (MCTDH) method (1997) (154)
- Dynamics and infrared spectroscopy of the protonated water dimer. (2007) (150)
- Multiconfigurational time‐dependent Hartree study of complex dynamics: Photodissociation of NO2 (1992) (150)
- THE EFFECT OF A MODEL ENVIRONMENT ON THE S2 ABSORPTION SPECTRUM OF PYRAZINE : A WAVE PACKET STUDY TREATING ALL 24 VIBRATIONAL MODES (1996) (142)
- Time‐dependent photodissociation of methyl iodide with five active modes (1994) (140)
- Classical models for electronic degrees of freedom: Derivation via spin analogy and application to F*+H2→F+H2 (1979) (137)
- Full-dimensional (15-dimensional) quantum-dynamical simulation of the protonated water dimer. I. Hamiltonian setup and analysis of the ground vibrational state. (2007) (121)
- Reflection-free complex absorbing potentials (1995) (115)
- Analysis and extension of some recently proposed classical models for electronic degrees of freedom (1980) (114)
- Multistate vibronic interactions in the benzene radical cation. II. Quantum dynamical simulations (2002) (113)
- Theory of the Liapunov exponents of Hamiltonian systems and a numerical study on the transition from regular to irregular classical motion (1986) (112)
- All mode dynamics at the conical intersection of an octa-atomic molecule: Multi-configuration time-dependent Hartree (MCTDH) investigation on the butatriene cation (2001) (111)
- Block Lanczos and many-body theory: Application to the one-particle Green's function (1996) (100)
- A band‐Lanczos method for computing matrix elements of a resolvent (1989) (99)
- Computation of vibrational energy levels and eigenstates of fluoroform using the multiconfiguration time-dependent Hartree method. (2008) (98)
- Few-boson dynamics in double wells: from single-atom to correlated pair tunneling. (2007) (95)
- Temporary anions - calculation of energy and lifetime by absorbing potentials: the resonance (1998) (93)
- Theoretical studies of the tunneling splitting of malonaldehyde using the multiconfiguration time-dependent Hartree approach. (2011) (92)
- The transformative complex absorbing potential method: a bridge between complex absorbing potentials and smooth exterior scaling (1998) (89)
- Dissipative quantum dynamics of anharmonic oscillators with the multiconfiguration time-dependent Hartree method (2003) (87)
- Full dimensional (15 dimensional) quantum-dynamical simulation of the protonated water-dimer IV: isotope effects in the infrared spectra of D(D2O)2(+), H(D2O)2(+), and D(H2O)2(+) isotopologues. (2009) (85)
- The Ã2E/B̃2B2Photoelectron Bands of Allene beyond the Linear Coupling Scheme: An ab Initio Dynamical Study Including All Fifteen Vibrational Modes† (2001) (84)
- Time‐dependent calculation of reactive flux employing complex absorbing potentials: General aspects and application within the multiconfiguration time‐dependent Hartree wave approach (1996) (81)
- Full dimensional (15-dimensional) quantum-dynamical simulation of the protonated water-dimer III: Mixed Jacobi-valence parametrization and benchmark results for the zero point energy, vibrationally excited states, and infrared spectrum. (2009) (79)
- A study of the mode-selective trans--cis isomerization in HONO using ab initio methodology. (2004) (78)
- The multigrid POTFIT (MGPF) method: grid representations of potentials for quantum dynamics of large systems. (2013) (77)
- Statistical Properties of Energy Levels (1987) (75)
- Strong isotope effects in the infrared spectrum of the Zundel cation. (2009) (74)
- Electronic decay of molecular clusters: non-stationary states computed by standard quantum chemistry methods (1999) (71)
- On the interatomic Coulombic decay in the Ne dimer. (2004) (69)
- TIME-DEPENDENT ROTATED HARTREE APPROACH (1987) (66)
- A new rigid‐rotor H2–CO potential energy surface from accurate ab initio calculations and rotationally inelastic scattering data (1984) (65)
- On the forced harmonic oscillator with time-dependent frequency (1981) (64)
- Potential energy surface of the CO2− anion (2004) (62)
- Block diagonalisation of Hermitian matrices (1989) (61)
- Competition between excitation and electronic decay of short-lived molecular states (1996) (59)
- A multilayer MCTDH study on the full dimensional vibronic dynamics of naphthalene and anthracene cations. (2013) (59)
- Rate constants for rotational transitions of CO scattered by para-hydrogen (1985) (57)
- Ultracold few-boson systems in a double-well trap (2006) (56)
- Multiconfiguration time‐dependent Hartree (MCTDH) study on rotational and diffractive inelastic molecule‐surface scattering (1996) (55)
- Rotational excitation cross sections of para-H2 + para-H2 collisions. A full-dimensional wave-packet propagation study using an exact form of the kinetic energy. (2005) (55)
- Rotationally inelastic scattering and potential calculation for NH3+He (1986) (53)
- Vibronic transitions and quantum dynamics in molecular oligomers: a theoretical analysis with an application to aggregates of perylene bisimides. (2009) (53)
- Composite fermionization of one-dimensional Bose-Bose mixtures (2008) (52)
- Automatic computer procedure for generating exact and analytical kinetic energy operators based on the polyspherical approach. (2012) (51)
- Correlations in ultracold trapped few-boson systems: Transition from condensation to fermionization (2006) (51)
- Reactive scattering using the multiconfiguration time‐dependent Hartree approximation: General aspects and application to the collinear H+H2→H2+H reaction (1995) (50)
- Applications of Quantum Dynamics in Chemistry (2017) (49)
- Benchmark calculations on high-dimensional Henon–Heiles potentials with the multi-configuration time dependent Hartree (MCTDH) method (2002) (49)
- Time-dependent interplay between electron emission and fragmentation in the interatomic Coulombic decay (2003) (49)
- Time-dependent wave packet study on trans-cis isomerization of HONO. (2004) (49)
- Reaction cross sections for the H+D2(ν0=1)→HD+D and D+H2(ν0=1)→DH+H systems. A multiconfiguration time-dependent Hartree (MCTDH) wave packet propagation study (2002) (49)
- Theoretical study of excitations in furan: spectra and molecular dynamics. (2004) (47)
- Dynamics of dissociative attachment of electrons to water through the {sup 2}B{sub 1} metastable state of the anion (2004) (46)
- Comprar Multidimensional Quantum Dynamics: MCTDH Theory and Applications | Hans-Dieter Meyer | 9783527320189 | Wiley (2009) (45)
- Tunneling dynamics of few bosons in a double well (2008) (45)
- Femtosecond laser pulse control of multidimensional vibrational dynamics: Computational studies on the pyrazine molecule. (2006) (44)
- A proton between two waters: insight from full-dimensional quantum-dynamics simulations of the [H2O-H-OH2]+ cluster. (2008) (42)
- Time-dependent wave packet study on trans-cis isomerization of HONO driven by an external field. (2007) (42)
- Time evolution of fluorescence and strong nonadiabatic effects (1984) (41)
- Resonant vibrational excitation of CO{sub 2} by electron impact: Nuclear dynamics on the coupled components of the {sup 2}{pi}{sub u} resonance (2003) (40)
- Calculation of the vibrational excited states of malonaldehyde and their tunneling splittings with the multi-configuration time-dependent Hartree method. (2014) (39)
- Efficiently computing bound-state spectra: A hybrid approach of the multi-configuration time-dependent Hartree and filter-diagonalization methods (2001) (38)
- Intramolecular vibrational energy redistribution in toluene: a nine-dimensional quantum mechanical study using the MCTDH algorithm (2004) (38)
- Metastable C{sup 2{minus}}{sub 2} Dianion (1997) (38)
- Rotational excitation in D2–CO collisions (1982) (38)
- Intramolecular vibrational energy redistribution in the highly excited fluoroform molecule: a quantum mechanical study using the multiconfiguration time-dependent Hartree algorithm. (2004) (38)
- Exact wave packet propagation using time‐dependent basis sets (1989) (37)
- Time‐dependent rotated Hartree: Formal development (1988) (37)
- Multiphonon energy transfer in atom-surface scattering (1984) (37)
- Multistate vibronic interactions in difluorobenzene radical cations. II. Quantum dynamical simulations. (2008) (36)
- Rotational excitations in para-H2+para-H2 collisions: full- and reduced-dimensional quantum wave packet studies comparing different potential energy surfaces. (2008) (36)
- Full dimensional quantum-mechanical simulations for the vibronic dynamics of difluorobenzene radical cation isomers using the multilayer multiconfiguration time-dependent Hartree method. (2012) (36)
- Exact decay and tunnelling dynamics of interacting few-boson systems (2009) (35)
- A classical model of vibronic coupling: The ultrafast non-radiative decay via a conical intersection (1983) (34)
- Simulation of a complex spectrum: interplay of five electronic states and 21 vibrational degrees of freedom in C5H4 +. (2005) (33)
- Extracting accurate bound-state spectra from approximate wave packet propagation using the filter-diagonalization method (1998) (33)
- CONTROLLED INTERPLAY BETWEEN DECAY AND FRAGMENTATION IN RESONANT AUGER PROCESSES (1998) (33)
- Theoretical investigation of intramolecular vibrational energy redistribution in highly excited HFCO. (2006) (33)
- Interatomic Coulombic decay in a heteroatomic rare gas cluster. (2006) (31)
- The multiconfiguration time-dependent Hartree method generalized to the propagation of density operators (1999) (30)
- Rovibrational energy transfer in ortho-H2+para-H2 collisions. (2007) (30)
- State filtering by a bath: up to 24 mode numerically exact wavepacket propagations (1999) (29)
- Ab initio study of the resonant electron attachment to the F2 molecule (2002) (29)
- Vibrational predissociation of ethylene dimers selectively prepared by molecular beam scattering (1986) (28)
- On the validity of the Born-Oppenheimer approximation in magnetic fields (1988) (28)
- Determining the anisotropic interaction potential of D2Ar from rotationally inelastic cross sections (1984) (28)
- A full-dimensional multilayer multiconfiguration time-dependent Hartree study on the ultraviolet absorption spectrum of formaldehyde oxide. (2014) (28)
- Calculation of H+H2 and H+D2 reaction probabilities within the multiconfiguration time-dependent Hartree approach employing an adiabatic correction scheme (1998) (28)
- Reaction cross sections for the H+D2(ν=0,1) system for collision energies up to 2.5 eV: A multiconfiguration time-dependent Hartree wave-packet propagation study (1999) (28)
- Effect of light-induced conical intersection on the photodissociation dynamics of the D2(+) molecule. (2013) (28)
- Multiconfiguration time-dependent Hartree method applied to molecular dissociation on surfaces: H2 + Pt(111). (2006) (26)
- Photoinduced nonadiabatic dynamics of ethene: Six-dimensional wave packet propagations using two different approximations of the kinetic energy operator (2007) (26)
- On regularizing the MCTDH equations of motion. (2018) (26)
- Multimode Jahn-Teller and pseudo-Jahn-Teller interactions in the cyclopropane radical cation: complex vibronic spectra and nonradiative decay dynamics. (2007) (25)
- Multiconfiguration Time-Dependent Hartree Dynamics on an ab Initio Reaction Surface: Ultrafast Laser-Driven Proton Motion in Phthalic Acid Monomethylester (2002) (25)
- Frequency dispersed transient absorption spectra of dissolved perylene: A case study using the density matrix version of the MCTDH method (2008) (25)
- Quantum molecular dynamics : Propagating wavepackets and density operators using the Multi-configuration time-dependent Hartree ( MCTDH ) method (25)
- Rovibrational spectroscopy using a kinetic energy operator in Eckart frame and the multi-configuration time-dependent Hartree (MCTDH) approach. (2014) (24)
- A generalised 17-state vibronic-coupling Hamiltonian model for ethylene. (2012) (24)
- Automatic computer procedure for generating exact and analytical kinetic energy operators based on the polyspherical approach: general formulation and removal of singularities. (2013) (24)
- Infrared photodissociation of size selected internally excited ethylene clusters (1987) (24)
- Ab initio calculation of energies and lifetimes of metastable dianions: The C22− resonance (2000) (24)
- All ab initio Auger spectra of HF and LiF: energies, intensities and vibrational shifts and broadenings (1993) (24)
- On the calculation of S-matrix poles using the Siegert method (1982) (23)
- Full-dimensional MCTDH/MGPF study of the ground and lowest lying vibrational states of the bihydroxide H3O2(-) complex. (2014) (23)
- CORRIGENDUM: On the connection between irregular trajectories and the distribution of quantum level spacings (1984) (23)
- Quantum dynamics study of fulvene double bond photoisomerization: the role of intramolecular vibrational energy redistribution and excitation energy. (2011) (23)
- Measurement of Quasielastic [sup 3]He([ital [rvec p]],[ital pN]) Scattering from Polarized [sup 3]He and the Three-Body Ground State Spin Structure (1995) (23)
- A numerical study on the performance of the multiconfiguration time-dependent Hartree method for density operators (2000) (23)
- Ozone photodissociation: isotopic and electronic branching ratios for symmetric and asymmetric isotopologues. (2012) (23)
- Rotational effects on the dissociation dynamics of CHD3 on Pt(111). (2016) (22)
- Electron bombardment fragmentation and intramolecular ion-molecule reactions of size-selected ethylene clusters (1988) (22)
- On regularizing the ML-MCTDH equations of motion. (2018) (21)
- Transforming high-dimensional potential energy surfaces into sum-of-products form using Monte Carlo methods. (2017) (21)
- Ozone photolysis: Strong isotopologue/isotopomer selectivity in the stratosphere (2013) (21)
- The electronic excited states of ethylene with large-amplitude deformations: A dynamical symmetry group investigation (2010) (21)
- Vibrational excitons in alpha-helical polypeptides: multiexciton self-trapping and related infrared transient absorption. (2006) (21)
- Numeric kinetic energy operators for molecules in polyspherical coordinates. (2012) (20)
- Nonadiabatic nuclear dynamics after valence ionization of H(2)O. (2010) (20)
- Vertical transition energies vs. absorption maxima: illustration with the UV absorption spectrum of ethylene. (2014) (20)
- LETTER TO THE EDITOR: Potential energy curve of the X 2Sigmau+ resonance state of F2- computed by CAP/CI (1999) (19)
- Excitations of few-boson systems in one-dimensional harmonic and double wells (2006) (19)
- Nuclear dynamics during the resonant Auger decay of water molecules. (2009) (18)
- Rotationally inelastic scattering of NH3 with H2: Molecular‐beam experiments and quantum calculations (1990) (18)
- Effect of the overall rotation on the cis-trans isomerization of HONO induced by an external field. (2012) (18)
- Multiconfiguration time-dependent Hartree approach to study the OH + H2 reaction. (2010) (17)
- Suitable coordinates for quantum dynamics: Applications using the multiconfiguration time-dependent Hartree (MCTDH) algorithm (2012) (17)
- Rotational and diffractive inelastic scattering of a diatom on a corrugated surface: A multiconfiguration time-dependent Hartree study on N2/LiF(001) (2001) (17)
- A hybrid approach of the multi-configuration time-dependent Hartree and filter-diagonalisation methods for computing bound-state spectra. Application to HO2 (2001) (16)
- Computing the energy-dependent width of temporary anions from ℒ2 ab initio methods (2002) (16)
- Energy transfer in ammonia-dimer-helium collisions (1986) (16)
- Theoretical investigation of highly excited vibrational states in DFCO: calculation of the out-of-plane bending states and simulation of the intramolecular vibrational energy redistribution. (2007) (16)
- A generalised vibronic-coupling Hamiltonian model for benzopyran. (2014) (15)
- Photodissociation of the ArHBr complex investigated with the multiconfiguration time-dependent Hartree approach (2003) (15)
- Laser-induced enhancement of tunneling in NHD2. (2012) (15)
- Multidimensional Quantum Mechanical Modeling of Electron Transfer and Electronic Coherence in Plant Cryptochromes: The Role of Initial Bath Conditions. (2018) (15)
- Multiconfigurational expansions of density operators: equations of motion and their properties (2000) (15)
- Absorption cross section of ozone isotopologues calculated with the multiconfiguration time-dependent hartree (MCTDH) method: I. The Hartley and Huggins bands. (2010) (15)
- Proton conduction along a chain of water molecules. Development of a linear model and quantum dynamical investigations using the multiconfiguration time-dependent Hartree method. (2005) (14)
- Adiabatic and nonadiabatic effects of nuclear dynamics in spectra of decaying states: Auger spectrum of HF (1996) (14)
- Comparison of the Huggins band for six ozone isotopologues: vibrational levels and absorption cross section. (2012) (14)
- Theoretical investigation of intramolecular vibrational energy redistribution in HFCO and DFCO induced by an external field. (2008) (14)
- Interrelation between the distributions of kinetic energy release and emitted electron energy following the decay of electronic states. (2011) (14)
- Rotational rainbows in electron-molecule scattering: theory (1987) (13)
- Simulating strongly correlated multiparticle systems in a truncated Hilbert space (2011) (13)
- Using n-mode potentials for reactive scattering: Application to the 6D H 2 + Pt(1 1 1) problem (2007) (13)
- Multidimensional density operator propagations in open systems: model studies on vibrational relaxations and surface sticking processes. (2004) (12)
- Atom-triatom rigid rotor inelastic scattering with the MultiConfiguration Time Dependent Hartree approach (2017) (12)
- Cross sections and rate constants for OH + H2 reaction on three different potential energy surfaces for ro-vibrationally excited reagents. (2011) (12)
- Photodissociation of a HCl molecule adsorbed on ice (2005) (12)
- Quantum dynamics of two bosons in an anharmonic trap: Collective versus internal excitations (2007) (12)
- Dynamical pruning of the non-equilibrium quantum dynamics of trapped ultracold bosons (2019) (12)
- Evidence for a metastable state of the fundamental dianion H 2 (1997) (12)
- Fully quantal treatment of nonadiabatic molecular photodynamics: General considerations and application to the benzene cation (2019) (11)
- Energy Level Statistics of Coupled Oscillators (1987) (11)
- Erratum: “Rotational excitations in para-H2+para-H2 collisions: Full- and reduced-dimensional quantum wave packet studies comparing different potential energy surfaces” [J. Chem. Phys. 128, 064305 (2008)] (2009) (11)
- Resonances of HCO Computed Using an Approach Based on the Multiconfiguration Time-Dependent Hartree Method. (2015) (11)
- Cumulative isomerization probability studied by various transition state wave packet methods including the MCTDH algorithm. Benchmark: HCN-->CNH isomerization. (2004) (10)
- Wave packet study of the UV photodissociation of the Ar2HBr complex. (2005) (10)
- Multiconfiguration time-dependent Hartree and classical dynamics studies of the photodissociation of HF and HCl molecules adsorbed on ice: extension to three dimensions. (2009) (10)
- Improving the mapping mechanism of the mapped Fourier method (2002) (9)
- Novel aspects of ultrafast non-radiative processes (1984) (9)
- The separation of the optical potential for electron-molecule scattering into a local and a non-local part (1988) (9)
- Classical and quantum studies of the photodissociation of a HX (X=Cl,F) molecule adsorbed on ice. (2007) (9)
- Lattice effects of surface cell: Multilayer multiconfiguration time-dependent Hartree study on surface scattering of CO/Cu(100) (2017) (9)
- Correlated static–exchange interaction calculation for e−+N2 scattering using the coupled cluster techniquea) (1993) (9)
- A CLASSICAL ANALOG FOR ELECTRONIC DEGREES OF FREEDOM IN NON-ADIABATIC COLLISION PROCESSES (1978) (9)
- Calculation of dissociative attachment of electrons to diatomic molecules by the Schwinger–Lanczos approach (1996) (9)
- Resonant vibrational excitation of C02 by electron impact: Nucleardynamics on the coupled components of the 2PIu resonance (2002) (9)
- MCTDH study on vibrational states of the CO/Cu(100) system. (2013) (9)
- Rotational excitation in electron-molecule scattering at intermediate collision energy: A two-centre scattering model (1990) (8)
- Towards a systematic convergence of Multi-Layer (ML) Multi-Configuration Time-Dependent Hartree nuclear wavefunctions: The ML-spawning algorithm (2017) (8)
- The equivalence of the log derivative Kohn principle with the R-matrix method (1994) (8)
- Rotational excitation by electron impact: a state selective study using laser-induced fluorescence (1990) (8)
- On the canonical product expansion of the S matrix (1984) (7)
- Comparison of the multi-layer multi-configuration time-dependent Hartree (ML-MCTDH) method and the density matrix renormalization group (DMRG) for ground state properties of linear rotor chains. (2021) (7)
- Rovibrational energy transfer in collisions of H2 with D2: a full-dimensional wave packet propagation study (2012) (7)
- Vibronic coupling effects in resonant auger spectra of H2O. (2012) (7)
- Schwinger-Lanczos algorithm for calculation of off-shell T -matrix elements and Wynn's epsilon algorithm (2000) (7)
- Dynami s of disso iative atta hment of ele trons to water through the 2 B 1 metastable state of the anion (2004) (6)
- Quantum dynamics through conical intersections in macrosystems: Combining effective modes and time-dependent Hartree (2008) (6)
- Dynamics of excited molecular states (2005) (6)
- The Multi-Configuration Hartree Approach (1993) (6)
- A classical path approximation for diffractive surface scattering (1984) (6)
- On the Infrared Absorption Spectrum of the Hydrated Hydroxide (H 3 O 2 - ) Cluster Anion (2017) (6)
- Regularizing the MCTDH equations of motion through an optimal choice on-the-fly (i.e., spawning) of unoccupied single-particle functions. (2020) (5)
- s Wave resonances with square well potentials (1976) (5)
- Expansion Hamiltonian model for a diatomic molecule adsorbed on a surface: Vibrational states of the CO/Cu(100) system including surface vibrations. (2015) (5)
- Kinetic energy release in fragmentation processes following electron emission: a time-dependent approach. (2012) (5)
- POTENTIAL ENERGY CURVE OF THE X 2SIGMA +U RESONANCE STATE OF F-2 COMPUTED BY CAP/CI (1999) (5)
- Basic MCTDH Theory (2009) (5)
- Theory of wave packet dynamics: resonant Auger spectrum of HF (1998) (4)
- Speed ratio and change of internal energy in nozzle beams of polyatomic gases (1979) (4)
- High-Dimensional Quantum Dynamics Study on Excitation-Specific Surface Scattering Including Lattice Effects of a Five-Atom Surface Cell. (2021) (4)
- Multi-electron giant dipole resonances of atoms in crossed electric and magnetic fields (2005) (4)
- Importance of Appropriately Regularizing the ML-MCTDH Equations of Motion. (2021) (4)
- Production of helium nozzle beams with very high speed ratios (1977) (4)
- Comment on “Generalization of the multiconfigurational time-dependent Hartree method to nonadiabatic systems” [J. Chem. Phys. 105, 9191 (1996)] (1998) (4)
- On the unphysical impact of complex absorbing potentials on the Hamiltonian and its remedy. (2006) (4)
- Comparison of the multi-configuration, time-dependent Hartree (MCTDH) method with the Arthurs and Dalgarno coupled-channel method for rotationally inelastic scattering (2013) (4)
- Time-Dependent Photodissociation of Methyl Iodide with Five Active Modes (1995) (4)
- Ground-state correlation effects in molecular photoionization at the extended frozen-core Hartree-Fock level (1997) (4)
- Dynamical Green's function and an exact optical potential for electron-molecule scattering including nuclear dynamics (1999) (4)
- Control of Molecular Processes (2017) (4)
- The interatomic Coulombic decay in Ne2 (2005) (3)
- On natural orbitals for properties (1991) (3)
- Electron Correlation Effects in Target Molecule in Low-Energy e- + N2 Scattering (1995) (3)
- Shared Memory Parallelization of the Multiconfiguration Time-Dependent Hartree Method and Application to the Dynamics and Spectroscopy of the Protonated Water Dimer (2009) (3)
- Localization dynamics in a centrally coupled system (2020) (3)
- Full dimensional quantum scattering study of the H2 + CN reaction# (2012) (3)
- Erratum: ''Classical and quantum studies of the photodissociation of a HX (X=Cl, F) molecule adsorbed on ice'' [J. Chem. Phys. 127, 164717 (2007)] (2009) (2)
- The time-dependent rotated Hartree approach: A re-formulation for the harmonic Lie algebra (1991) (2)
- MCTDH for Density Operator (2009) (2)
- Distributed Memory Parallelization of the Multi-Configuration Time-Dependent Hartree Method (2010) (2)
- Erratum to “The electronic excited states of ethylene with large-amplitude deformations: A dynamical symmetry group investigation” [Chemical Physics 377 (2010) 30-45] (2011) (2)
- Quantum Mechanical Background (2017) (2)
- The analytically continued S matrix for potentials defined as a sum of exponentials. II. The multichannel problem (1983) (2)
- Computing Eigenstates by Relaxation and Improved Relaxation (2009) (2)
- Shared Memory Parallelization of the Multiconfiguration Time‐Dependent Hartree Method (2009) (2)
- Electron-HF scattering in the static exchange approximation: treatment of the dipole potential (1990) (2)
- Isotope effects of ground and lowest lying vibrational states of H(3-x)D(x)O2(-) complexes. (2016) (2)
- Vibrational Spectroscopy and Molecular Dynamics (2014) (1)
- Studying molecular quantum dynamics with the multiconfiguration time-dependent Hartree ( MCTDH ) method (2011) (1)
- Infrared Spectrum of the Protonated Water Dimer (2007) (1)
- N-electron giant dipole states in crossed electric and magnetic fields (18 pages) (2005) (1)
- The Road to MCTDH (2009) (1)
- Theoretical investigation of the H + HD → D + H2 chemical reaction for astrophysical applications: A state-to-state quasi-classical study. (2020) (1)
- Kinetic Energy Operators (2009) (1)
- The coupling of the hydrated proton to its first solvation shell (2022) (1)
- Adiabatic Approximations for Molecules In Magnetic Fields (1991) (1)
- Multidimensional Photochemistry Model: Application to Aminobenzonitrile and Benzopyran (2014) (0)
- Statistical Properties of Energy Levels and Connection to Classical Mechanics (1988) (0)
- Molecular Hamiltonian Operators (2017) (0)
- Theorectical Studies of Excitation in Low-Energy Electron-Polyatomic Molecule Collisions (2001) (0)
- Section 25: Polyatomic Dynamics of Dissociative Electron Attachment to Water (2009) (0)
- Calculation of Global, High-Dimensional Potential Energy Surface Fits in Canonical Decomposition Form Using Monte-Carlo Methods: Application to the Eigen Cation (2021) (0)
- Potential Representations (potfit) (2009) (0)
- Representation of Diabatic Potential Energy Matrices for Multiconfiguration Time-Dependent Hartree Treatments of High-Dimensional Nonadiabatic Photodissociation Dynamics. (2022) (0)
- Calculation of Global, High-Dimensional Potential Energy Surface Fits in Sum-of-Products Form Using Monte-Carlo Methods (2018) (0)
- Lattice effects of surface cell (2017) (0)
- Introduction to Numerical Methods (2017) (0)
- Approximate Methods for Time Evolution of Wave Packets (1992) (0)
- Representation of the Potential for Quantum Dynamics in High-Dimensionality: Study of the Hydrated Hydroxide Complex (9D) (2016) (0)
- Chaotic Behavior of Classical Hamiltonian Systems (1988) (0)
- Preparation of the Initial Wavepacket (2009) (0)
- D ec 2 00 6 Excitations of Few-Boson Systems in 1-D Harmonic and Double Wells (2022) (0)
- The Kinetic Energy Operator in Curvilinear Coordinates (2017) (0)
- Group Theory and Molecular Symmetry (2017) (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)
- Reply to the ‘‘Comment on ‘Theory of the Liapunov exponents of Hamiltonian systems and...’ ’’ (1987) (0)
- Optimal Mode Combination in the Multiconfiguration Time-Dependent Hartree Method through Multivariate Statistics: Factor Analysis and Hierarchical Clustering. (2023) (0)
- Erratum to: Applications of Quantum Dynamics in Chemistry (2017) (0)
- Proton Transfer and Hydrated Proton in Small Water Systems (2009) (0)
- Time‐dependent Multiconfigurational Hartree Method (2002) (0)
- Choosing the Set of Coordinates for the Nuclei (2017) (0)
- Representation of PES for quantum dynamical studies for high-dimensional systems. The hydrated hydroxide complex (9D) (2016) (0)
- Multifilament, monofilament, nonwoven or ribbon (2007) (0)
- Analysis of the Propagated Wavepacket (2009) (0)
- ON THE FORCEP) HARMONFX OSCILLATOR WITH TLME-DEPENDENT FREQUENCY (1981) (0)
- ROVIBRATIONAL LEVELS AND INELASTIC SCATTERING OF THE H2O-Ar CLUSTER IN FULL AND REDUCED DIMENSIONALITY (2016) (0)
- Ultracold Few‐Boson Systems in Traps (2009) (0)
- POTFIT and Multigrid POTFIT. Transforming general multi-potential energy surfaces to product form. Applications to H3O2-. (2013) (0)
- Numerical Studies of the Tunneling Splitting of Malonaldehyde and the Eigenstates of Hydrated Hydroxide Anion Using MCTDH (2013) (0)
- Publisher's Note: Quantum dynamics of two bosons in an anharmonic trap: Collective versus internal excitations [Phys. Rev. A 75, 023602 (2007)] (2007) (0)
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