| Year |
Citation |
Score |
| 2023 |
Mendive-Tapia D, Meyer HD, Vendrell O. Optimal Mode Combination in the Multiconfiguration Time-Dependent Hartree Method through Multivariate Statistics: Factor Analysis and Hierarchical Clustering. Journal of Chemical Theory and Computation. PMID 36716214 DOI: 10.1021/acs.jctc.2c01089 |
0.62 |
|
| 2022 |
Schröder M, Gatti F, Lauvergnat D, Meyer HD, Vendrell O. The coupling of the hydrated proton to its first solvation shell. Nature Communications. 13: 6170. PMID 36257946 DOI: 10.1038/s41467-022-33650-w |
0.628 |
|
| 2022 |
Han S, Schröder M, Gatti F, Meyer HD, Lauvergnat D, Yarkony DR, Guo H. Representation of Diabatic Potential Energy Matrices for Multiconfiguration Time-Dependent Hartree Treatments of High-Dimensional Nonadiabatic Photodissociation Dynamics. Journal of Chemical Theory and Computation. PMID 35839299 DOI: 10.1021/acs.jctc.2c00370 |
0.341 |
|
| 2020 |
Bossion D, Ndengué S, Meyer HD, Gatti F, Scribano Y. Theoretical investigation of the H + HD → D + H chemical reaction for astrophysical applications: A state-to-state quasi-classical study. The Journal of Chemical Physics. 153: 081102. PMID 32872883 DOI: 10.1063/5.0017697 |
0.372 |
|
| 2019 |
Scheit S, Goswami S, Meyer H, Köppel H. Fully quantal treatment of nonadiabatic molecular photodynamics: General considerations and application to the benzene cation Computational and Theoretical Chemistry. 1150: 71-84. DOI: 10.1016/J.Comptc.2019.01.011 |
0.419 |
|
| 2017 |
Mendive-Tapia D, Mangaud E, Firmino T, de la Lande A, Desouter-Lecomte M, Meyer HD, Gatti F. Multidimensional Quantum Mechanical Modeling of Electron Transfer and Electronic Coherence in Plant Cryptochromes: The Role of Initial Bath Conditions. The Journal of Physical Chemistry. B. PMID 29216421 DOI: 10.1021/Acs.Jpcb.7B10412 |
0.36 |
|
| 2017 |
Schröder M, Meyer HD. Transforming high-dimensional potential energy surfaces into sum-of-products form using Monte Carlo methods. The Journal of Chemical Physics. 147: 064105. PMID 28810787 DOI: 10.1063/1.4991851 |
0.404 |
|
| 2017 |
Meng Q, Meyer H. Lattice effects of surface cell: Multilayer multiconfiguration time-dependent Hartree study on surface scattering of CO/Cu(100) The Journal of Chemical Physics. 146: 184305. DOI: 10.1063/1.4982962 |
0.4 |
|
| 2017 |
Ndengué S, Dawes R, Gatti F, Meyer H. Atom-triatom rigid rotor inelastic scattering with the MultiConfiguration Time Dependent Hartree approach Chemical Physics Letters. 668: 42-46. DOI: 10.1016/J.Cplett.2016.12.012 |
0.383 |
|
| 2017 |
Mendive-Tapia D, Firmino T, Meyer H, Gatti F. Towards a systematic convergence of Multi-Layer (ML) Multi-Configuration Time-Dependent Hartree nuclear wavefunctions: The ML-spawning algorithm Chemical Physics. 482: 113-123. DOI: 10.1016/J.Chemphys.2016.08.031 |
0.328 |
|
| 2017 |
Peláez D, Meyer H. On the infrared absorption spectrum of the hydrated hydroxide (H3O2-) cluster anion Chemical Physics. 482: 100-105. DOI: 10.1016/J.Chemphys.2016.08.025 |
0.396 |
|
| 2016 |
Füchsel G, Thomas PS, den Uyl J, Öztürk Y, Nattino F, Meyer HD, Kroes GJ. Rotational effects on the dissociation dynamics of CHD3 on Pt(111). Physical Chemistry Chemical Physics : Pccp. PMID 26925965 DOI: 10.1039/C5Cp07898A |
0.643 |
|
| 2016 |
Ansari N, Meyer HD. Isotope effects of ground and lowest lying vibrational states of H3-xDxO2 (-) complexes. The Journal of Chemical Physics. 144: 054308. PMID 26851922 DOI: 10.1063/1.4940965 |
0.394 |
|
| 2015 |
Meng Q, Meyer HD. Expansion Hamiltonian model for a diatomic molecule adsorbed on a surface: Vibrational states of the CO/Cu(100) system including surface vibrations. The Journal of Chemical Physics. 143: 164310. PMID 26520516 DOI: 10.1063/1.4934506 |
0.35 |
|
| 2014 |
Joubert-Doriol L, Lasorne B, Lauvergnat D, Meyer HD, Gatti F. A generalised vibronic-coupling Hamiltonian model for benzopyran. The Journal of Chemical Physics. 140: 044301. PMID 25669517 DOI: 10.1063/1.4861226 |
0.395 |
|
| 2014 |
Meng Q, Meyer HD. A full-dimensional multilayer multiconfiguration time-dependent Hartree study on the ultraviolet absorption spectrum of formaldehyde oxide. The Journal of Chemical Physics. 141: 124309. PMID 25273439 DOI: 10.1063/1.4896201 |
0.436 |
|
| 2014 |
Sadri K, Lauvergnat D, Gatti F, Meyer HD. Rovibrational spectroscopy using a kinetic energy operator in Eckart frame and the multi-configuration time-dependent Hartree (MCTDH) approach. The Journal of Chemical Physics. 141: 114101. PMID 25240339 DOI: 10.1063/1.4895557 |
0.415 |
|
| 2014 |
Schröder M, Meyer HD. Calculation of the vibrational excited states of malonaldehyde and their tunneling splittings with the multi-configuration time-dependent Hartree method. The Journal of Chemical Physics. 141: 034116. PMID 25053310 DOI: 10.1063/1.4890116 |
0.483 |
|
| 2014 |
Peláez D, Sadri K, Meyer HD. Full-dimensional MCTDH/MGPF study of the ground and lowest lying vibrational states of the bihydroxide H3O2(-) complex. Spectrochimica Acta. Part a, Molecular and Biomolecular Spectroscopy. 119: 42-51. PMID 23831046 DOI: 10.1016/J.Saa.2013.05.008 |
0.47 |
|
| 2014 |
Lasorne B, Jornet-Somoza J, Meyer HD, Lauvergnat D, Robb MA, Gatti F. Vertical transition energies vs. absorption maxima: illustration with the UV absorption spectrum of ethylene. Spectrochimica Acta. Part a, Molecular and Biomolecular Spectroscopy. 119: 52-8. PMID 23711543 DOI: 10.1016/J.Saa.2013.04.078 |
0.358 |
|
| 2013 |
Ndong M, Nauts A, Joubert-Doriol L, Meyer HD, Gatti F, Lauvergnat D. Automatic computer procedure for generating exact and analytical kinetic energy operators based on the polyspherical approach: general formulation and removal of singularities. The Journal of Chemical Physics. 139: 204107. PMID 24289344 DOI: 10.1063/1.4828729 |
0.334 |
|
| 2013 |
Meng Q, Meyer HD. MCTDH study on vibrational states of the CO/Cu(100) system. The Journal of Chemical Physics. 139: 164709. PMID 24182066 DOI: 10.1063/1.4826258 |
0.359 |
|
| 2013 |
Meng Q, Meyer HD. A multilayer MCTDH study on the full dimensional vibronic dynamics of naphthalene and anthracene cations. The Journal of Chemical Physics. 138: 014313. PMID 23298047 DOI: 10.1063/1.4772779 |
0.458 |
|
| 2013 |
Peláez D, Meyer HD. The multigrid POTFIT (MGPF) method: grid representations of potentials for quantum dynamics of large systems. The Journal of Chemical Physics. 138: 014108. PMID 23298029 DOI: 10.1063/1.4773021 |
0.432 |
|
| 2012 |
Meng Q, Faraji S, Vendrell O, Meyer HD. Full dimensional quantum-mechanical simulations for the vibronic dynamics of difluorobenzene radical cation isomers using the multilayer multiconfiguration time-dependent Hartree method. The Journal of Chemical Physics. 137: 134302. PMID 23039594 DOI: 10.1063/1.4755372 |
0.692 |
|
| 2012 |
Ndengué SA, Schinke R, Gatti F, Meyer HD, Jost R. Comparison of the Huggins band for six ozone isotopologues: vibrational levels and absorption cross section. The Journal of Physical Chemistry. A. 116: 12260-70. PMID 23009265 DOI: 10.1021/Jp3064382 |
0.326 |
|
| 2012 |
Jornet-Somoza J, Lasorne B, Robb MA, Meyer HD, Lauvergnat D, Gatti F. A generalised 17-state vibronic-coupling Hamiltonian model for ethylene. The Journal of Chemical Physics. 137: 084304. PMID 22938230 DOI: 10.1063/1.4745861 |
0.427 |
|
| 2012 |
Sadri K, Lauvergnat D, Gatti F, Meyer HD. Numeric kinetic energy operators for molecules in polyspherical coordinates. The Journal of Chemical Physics. 136: 234112. PMID 22779586 DOI: 10.1063/1.4729536 |
0.437 |
|
| 2012 |
Eroms M, Jungen M, Meyer HD. Vibronic coupling effects in resonant auger spectra of H2O. The Journal of Physical Chemistry. A. 116: 11140-50. PMID 22765303 DOI: 10.1021/Jp304666K |
0.455 |
|
| 2012 |
Sala M, Guérin S, Gatti F, Marquardt R, Meyer HD. Laser-induced enhancement of tunneling in NHD2. The Journal of Chemical Physics. 136: 194308. PMID 22612096 DOI: 10.1063/1.4718591 |
0.342 |
|
| 2012 |
Chiang YC, Otto F, Meyer HD, Cederbaum LS. Kinetic energy release in fragmentation processes following electron emission: a time-dependent approach. The Journal of Chemical Physics. 136: 114111. PMID 22443752 DOI: 10.1063/1.3694536 |
0.367 |
|
| 2012 |
Sala M, Gatti F, Lauvergnat D, Meyer HD. Effect of the overall rotation on the cis-trans isomerization of HONO induced by an external field. Physical Chemistry Chemical Physics : Pccp. 14: 3791-801. PMID 22314697 DOI: 10.1039/C2Cp23709A |
0.351 |
|
| 2012 |
Ndong M, Joubert-Doriol L, Meyer HD, Nauts A, Gatti F, Lauvergnat D. Automatic computer procedure for generating exact and analytical kinetic energy operators based on the polyspherical approach. The Journal of Chemical Physics. 136: 034107. PMID 22280744 DOI: 10.1063/1.3675163 |
0.324 |
|
| 2012 |
Otto F, Gatti F, Meyer HD. Rovibrational energy transfer in collisions of H 2 with D 2: A full-dimensional wave packet propagation study Molecular Physics. 110: 619-632. DOI: 10.1080/00268976.2012.667165 |
0.426 |
|
| 2012 |
Joubert-Doriol L, Lasorne B, Gatti F, Schröder M, Vendrell O, Meyer H. Suitable coordinates for quantum dynamics: Applications using the multiconfiguration time-dependent Hartree (MCTDH) algorithm Computational and Theoretical Chemistry. 990: 75-89. DOI: 10.1016/J.Comptc.2011.12.015 |
0.647 |
|
| 2012 |
Meyer HD. Studying molecular quantum dynamics with the multiconfiguration time-dependent Hartree method Wiley Interdisciplinary Reviews: Computational Molecular Science. 2: 351-374. DOI: 10.1002/Wcms.87 |
0.444 |
|
| 2011 |
Bhattacharya S, Panda AN, Meyer HD. Cross sections and rate constants for OH + H2 reaction on three different potential energy surfaces for ro-vibrationally excited reagents. The Journal of Chemical Physics. 135: 194302. PMID 22112077 DOI: 10.1063/1.3660222 |
0.414 |
|
| 2011 |
Chiang YC, Otto F, Meyer HD, Cederbaum LS. Interrelation between the distributions of kinetic energy release and emitted electron energy following the decay of electronic states. Physical Review Letters. 107: 173001. PMID 22107513 DOI: 10.1103/Physrevlett.107.173001 |
0.37 |
|
| 2011 |
Blancafort L, Gatti F, Meyer HD. Quantum dynamics study of fulvene double bond photoisomerization: the role of intramolecular vibrational energy redistribution and excitation energy. The Journal of Chemical Physics. 135: 134303. PMID 21992301 DOI: 10.1063/1.3643767 |
0.435 |
|
| 2011 |
Schröder M, Gatti F, Meyer HD. Theoretical studies of the tunneling splitting of malonaldehyde using the multiconfiguration time-dependent Hartree approach. The Journal of Chemical Physics. 134: 234307. PMID 21702556 DOI: 10.1063/1.3600343 |
0.411 |
|
| 2011 |
Vendrell O, Meyer HD. Multilayer multiconfiguration time-dependent Hartree method: implementation and applications to a Henon-Heiles hamiltonian and to pyrazine. The Journal of Chemical Physics. 134: 044135. PMID 21280715 DOI: 10.1063/1.3535541 |
0.647 |
|
| 2011 |
Ernst T, Hallwood DW, Gulliksen J, Meyer H, Brand J. Simulating strongly correlated multiparticle systems in a truncated Hilbert space Physical Review A. 84. DOI: 10.1103/Physreva.84.023623 |
0.367 |
|
| 2011 |
Blancafort L, Gatti F, Meyer HD. Quantum dynamics study of fulvene double bond photoisomerization: The role of intramolecular vibrational energy redistribution and excitation energy Journal of Chemical Physics. 135. DOI: 10.1063/1.3643767 |
0.326 |
|
| 2011 |
Vendrell O, Meyer HD. Multilayer multiconfiguration time-dependent Hartree method: Implementation and applications to a Henon-Heiles Hamiltonian and to pyrazine Journal of Chemical Physics. 134. DOI: 10.1063/1.3535541 |
0.616 |
|
| 2011 |
Lasorne B, Robb MA, Meyer H, Gatti F. Erratum to “The electronic excited states of ethylene with large-amplitude deformations: A dynamical symmetry group investigation” [Chemical Physics 377 (2010) 30–45] Chemical Physics. 382: 132. DOI: 10.1016/J.Chemphys.2011.01.004 |
0.34 |
|
| 2010 |
Ndengué SA, Gatti F, Schinke R, Meyer HD, Jost R. Absorption cross section of ozone isotopologues calculated with the multiconfiguration time-dependent hartree (MCTDH) method: I. The Hartley and Huggins bands. The Journal of Physical Chemistry. A. 114: 9855-63. PMID 20583798 DOI: 10.1021/Jp103266M |
0.302 |
|
| 2010 |
Bhattacharya S, Panda AN, Meyer HD. Multiconfiguration time-dependent Hartree approach to study the OH + H2 reaction. The Journal of Chemical Physics. 132: 214304. PMID 20528019 DOI: 10.1063/1.3429609 |
0.387 |
|
| 2010 |
Eroms M, Jungen M, Meyer HD. Nonadiabatic nuclear dynamics after valence ionization of H(2)O. The Journal of Physical Chemistry. A. 114: 9893-901. PMID 20481566 DOI: 10.1021/Jp103659F |
0.433 |
|
| 2010 |
Lode AUJ, Streltsov AI, Alon OE, Meyer H, Cederbaum LS. CORRIGENDUM: Exact decay and tunnelling dynamics of interacting few-boson systems Exact decay and tunnelling dynamics of interacting few-boson systems Journal of Physics B. 43: 29802. DOI: 10.1088/0953-4075/43/2/029802 |
0.317 |
|
| 2010 |
Lasorne B, Robb MA, Meyer HD, Gatti F. The electronic excited states of ethylene with large-amplitude deformations: A dynamical symmetry group investigation Chemical Physics. DOI: 10.1016/J.Chemphys.2010.08.011 |
0.36 |
|
| 2009 |
Woittequand S, Toubin C, Monnerville M, Briquez S, Pouilly B, Meyer HD. Multiconfiguration time-dependent Hartree and classical dynamics studies of the photodissociation of HF and HCl molecules adsorbed on ice: extension to three dimensions. The Journal of Chemical Physics. 131: 194303. PMID 19929047 DOI: 10.1063/1.3263605 |
0.395 |
|
| 2009 |
Seibt J, Winkler T, Renziehausen K, Dehm V, Würthner F, Meyer HD, Engel V. Vibronic transitions and quantum dynamics in molecular oligomers: a theoretical analysis with an application to aggregates of perylene bisimides. The Journal of Physical Chemistry. A. 113: 13475-82. PMID 19831416 DOI: 10.1021/Jp904892V |
0.418 |
|
| 2009 |
Vendrell O, Gatti F, Meyer HD. 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. The Journal of Chemical Physics. 131: 034308. PMID 19624198 DOI: 10.1063/1.3183166 |
0.676 |
|
| 2009 |
Vendrell O, Brill M, Gatti F, Lauvergnat D, Meyer HD. 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. The Journal of Chemical Physics. 130: 234305. PMID 19548725 DOI: 10.1063/1.3152488 |
0.718 |
|
| 2009 |
Eroms M, Vendrell O, Jungen M, Meyer HD, Cederbaum LS. Nuclear dynamics during the resonant Auger decay of water molecules. The Journal of Chemical Physics. 130: 154307. PMID 19388746 DOI: 10.1063/1.3117902 |
0.684 |
|
| 2009 |
Vendrell O, Gatti F, Meyer HD. Strong isotope effects in the infrared spectrum of the zundel cation Angewandte Chemie - International Edition. 48: 352-355. PMID 19040241 DOI: 10.1002/Anie.200804646 |
0.678 |
|
| 2009 |
Lode AUJ, Streltsov AI, Alon OE, Meyer H, Cederbaum LS. Exact decay and tunnelling dynamics of interacting few-boson systems Journal of Physics B: Atomic, Molecular and Optical Physics. 42: 044018. DOI: 10.1088/0953-4075/42/4/044018 |
0.319 |
|
| 2009 |
Otto F, Gatti F, Meyer H. 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)] The Journal of Chemical Physics. 131: 049901. DOI: 10.1063/1.3185353 |
0.372 |
|
| 2009 |
Vendrell O, Meyer HD. Proton Transfer and Hydrated Proton in Small Water Systems Multidimensional Quantum Dynamics: McTdh Theory and Applications. 311-333. DOI: 10.1002/9783527627400.ch23 |
0.567 |
|
| 2008 |
Doriol LJ, Gatti F, Iung C, Meyer HD. Computation of vibrational energy levels and eigenstates of fluoroform using the multiconfiguration time-dependent Hartree method. The Journal of Chemical Physics. 129: 224109. PMID 19071909 DOI: 10.1063/1.3020716 |
0.401 |
|
| 2008 |
Pasin G, Iung C, Gatti F, Richter F, Léonard C, Meyer HD. Theoretical investigation of intramolecular vibrational energy redistribution in HFCO and DFCO induced by an external field. The Journal of Chemical Physics. 129: 144304. PMID 19045144 DOI: 10.1063/1.2991411 |
0.453 |
|
| 2008 |
Vendrell O, Meyer HD. A proton between two waters: insight from full-dimensional quantum-dynamics simulations of the [H2O-H-OH2]+ cluster. Physical Chemistry Chemical Physics : Pccp. 10: 4692-703. PMID 18688512 DOI: 10.1039/B807317A |
0.697 |
|
| 2008 |
Zöllner S, Meyer HD, Schmelcher P. Few-boson dynamics in double wells: from single-atom to correlated pair tunneling. Physical Review Letters. 100: 040401. PMID 18352242 DOI: 10.1103/Physrevlett.100.040401 |
0.358 |
|
| 2008 |
Otto F, Gatti F, Meyer HD. Rotational excitations in para-H2+para-H2 collisions: full- and reduced-dimensional quantum wave packet studies comparing different potential energy surfaces. The Journal of Chemical Physics. 128: 064305. PMID 18282036 DOI: 10.1063/1.2826379 |
0.419 |
|
| 2008 |
Zöllner S, Meyer H, Schmelcher P. Tunneling dynamics of a few bosons in a double well Physical Review A. 78. DOI: 10.1103/Physreva.78.013621 |
0.368 |
|
| 2008 |
Bowman JM, Carrington T, Meyer HD. Variational quantum approaches for computing vibrational energies of polyatomic molecules Molecular Physics. 106: 2145-2182. DOI: 10.1080/00268970802258609 |
0.599 |
|
| 2008 |
Brüggemann B, Persson P, Meyer H, May V. Frequency dispersed transient absorption spectra of dissolved perylene: A case study using the density matrix version of the MCTDH method Chemical Physics. 347: 152-165. DOI: 10.1016/J.Chemphys.2007.11.001 |
0.398 |
|
| 2008 |
Basler M, Gindensperger E, Meyer H, Cederbaum LS. Quantum dynamics through conical intersections in macrosystems: Combining effective modes and time-dependent Hartree Chemical Physics. 347: 78-96. DOI: 10.1016/J.Chemphys.2007.09.047 |
0.388 |
|
| 2007 |
Vendrell O, Gatti F, Meyer HD. Full dimensional (15-dimensional) quantum-dynamical simulation of the protonated water dimer. II. Infrared spectrum and vibrational dynamics. The Journal of Chemical Physics. 127: 184303. PMID 18020635 DOI: 10.1063/1.2787596 |
0.684 |
|
| 2007 |
Vendrell O, Gatti F, Lauvergnat D, Meyer HD. Full-dimensional (15-dimensional) quantum-dynamical simulation of the protonated water dimer. I. Hamiltonian setup and analysis of the ground vibrational state. The Journal of Chemical Physics. 127: 184302. PMID 18020634 DOI: 10.1063/1.2787588 |
0.715 |
|
| 2007 |
Woittequand S, Duflot D, Monnerville M, Pouilly B, Toubin C, Briquez S, Meyer HD. Classical and quantum studies of the photodissociation of a HX (X=Cl,F) molecule adsorbed on ice. The Journal of Chemical Physics. 127: 164717. PMID 17979381 DOI: 10.1063/1.2799519 |
0.412 |
|
| 2007 |
Richter F, Gatti F, Léonard C, Le Quéré F, Meyer HD. Time-dependent wave packet study on trans-cis isomerization of HONO driven by an external field. The Journal of Chemical Physics. 127: 164315. PMID 17979346 DOI: 10.1063/1.2784553 |
0.394 |
|
| 2007 |
Panda AN, Otto F, Gatti F, Meyer HD. Rovibrational energy transfer in ortho-H2+para-H2 collisions. The Journal of Chemical Physics. 127: 114310. PMID 17887840 DOI: 10.1063/1.2776266 |
0.404 |
|
| 2007 |
Vendrell O, Gatti F, Meyer HD. Dynamics and infrared spectroscopy of the protonated water dimer Angewandte Chemie - International Edition. 46: 6918-6921. PMID 17676569 DOI: 10.1002/Anie.200702201 |
0.671 |
|
| 2007 |
Pasin G, Iung C, Gatti F, Meyer HD. 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. The Journal of Chemical Physics. 126: 024302. PMID 17228949 DOI: 10.1063/1.2402920 |
0.439 |
|
| 2007 |
Matthies C, Zöllner S, Meyer H, Schmelcher P. Publisher's Note: Quantum dynamics of two bosons in an anharmonic trap: Collective versus internal excitations [Phys. Rev. A75, 023602 (2007)] Physical Review A. 76. DOI: 10.1103/Physreva.76.029903 |
0.35 |
|
| 2007 |
Matthies C, Zöllner S, Meyer H, Schmelcher P. Quantum dynamics of two bosons in an anharmonic trap: Collective versus internal excitations Physical Review A. 76. DOI: 10.1103/Physreva.76.023602 |
0.412 |
|
| 2007 |
Zöllner S, Meyer H, Schmelcher P. Excitations of few-boson systems in one-dimensional harmonic and double wells Physical Review A. 75: 43608. DOI: 10.1103/Physreva.75.043608 |
0.388 |
|
| 2007 |
Brill MR, Gatti F, Lauvergnat D, Meyer H. Photoinduced nonadiabatic dynamics of ethene: Six-dimensional wave packet propagations using two different approximations of the kinetic energy operator Chemical Physics. 338: 186-199. DOI: 10.1016/J.Chemphys.2007.04.002 |
0.415 |
|
| 2007 |
Vendrell O, Gatti F, Meyer H. Dynamik und Infrarotspektroskopie des protonierten Wasser-Dimers Angewandte Chemie. 119: 7043-7046. DOI: 10.1002/Ange.200702201 |
0.555 |
|
| 2006 |
Wang L, Meyer HD, May V. Femtosecond laser pulse control of multidimensional vibrational dynamics: Computational studies on the pyrazine molecule. The Journal of Chemical Physics. 125: 014102. PMID 16863282 DOI: 10.1063/1.2208611 |
0.362 |
|
| 2006 |
Pasin G, Gatti F, Iung C, Meyer HD. Theoretical investigation of intramolecular vibrational energy redistribution in highly excited HFCO. The Journal of Chemical Physics. 124: 194304. PMID 16729811 DOI: 10.1063/1.2192499 |
0.448 |
|
| 2006 |
Scheit S, Averbukh V, Meyer HD, Zobeley J, Cederbaum LS. Interatomic Coulombic decay in a heteroatomic rare gas cluster. The Journal of Chemical Physics. 124: 154305. PMID 16674224 DOI: 10.1063/1.2185637 |
0.384 |
|
| 2006 |
Tsivlin DV, Meyer HD, May V. Vibrational excitons in alpha-helical polypeptides: multiexciton self-trapping and related infrared transient absorption. The Journal of Chemical Physics. 124: 134907. PMID 16613477 DOI: 10.1063/1.2180247 |
0.425 |
|
| 2006 |
Zöllner S, Meyer H, Schmelcher P. Correlations in ultracold trapped few-boson systems: Transition from condensation to fermionization Physical Review A. 74. DOI: 10.1103/Physreva.74.063611 |
0.316 |
|
| 2006 |
Zöllner S, Meyer H, Schmelcher P. Ultracold few-boson systems in a double-well trap Physical Review A. 74. DOI: 10.1103/Physreva.74.053612 |
0.354 |
|
| 2006 |
Tsivlin DV, Meyer HD, May V. Vibrational excitons in α -helical polypeptides: Multiexciton self-trapping and related infrared transient absorption Journal of Chemical Physics. 124. DOI: 10.1063/1.2180247 |
0.319 |
|
| 2006 |
Meyer H, Quéré FL, Léonard C, Gatti F. Calculation and selective population of vibrational levels with the Multiconfiguration Time-Dependent Hartree (MCTDH) algorithm Chemical Physics. 329: 179-192. DOI: 10.1016/J.Chemphys.2006.06.002 |
0.444 |
|
| 2005 |
Gatti F, Otto F, Sukiasyan S, Meyer HD. 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. The Journal of Chemical Physics. 123: 174311. PMID 16375532 DOI: 10.1063/1.2085167 |
0.397 |
|
| 2005 |
Markmann A, Worth GA, Mahapatra S, Meyer HD, Köppel H, Cederbaum LS. Simulation of a complex spectrum: interplay of five electronic states and 21 vibrational degrees of freedom in C5H4 +. The Journal of Chemical Physics. 123: 204310. PMID 16351259 DOI: 10.1063/1.2104531 |
0.458 |
|
| 2005 |
Pouilly B, Monnerville M, Gatti F, Meyer HD. Wave packet study of the UV photodissociation of the Ar2HBr complex. The Journal of Chemical Physics. 122: 184313. PMID 15918710 DOI: 10.1063/1.1891725 |
0.404 |
|
| 2005 |
Vendrell O, Meyer HD. Proton conduction along a chain of water molecules. Development of a linear model and quantum dynamical investigations using the multiconfiguration time-dependent Hartree method. The Journal of Chemical Physics. 122: 104505. PMID 15836330 DOI: 10.1063/1.1859274 |
0.662 |
|
| 2005 |
Zöllner S, Meyer H, Schmelcher P. N-electron giant dipole states in crossed electric and magnetic fields Physical Review A. 72. DOI: 10.1103/Physreva.72.033416 |
0.301 |
|
| 2005 |
Woittequand S, Toubin C, Pouilly B, Monnerville M, Briquez S, Meyer H. Photodissociation of a HCl molecule adsorbed on ice Chemical Physics Letters. 406: 202-209. DOI: 10.1016/J.Cplett.2005.02.101 |
0.315 |
|
| 2004 |
Cattarius C, Meyer HD. Multidimensional density operator propagations in open systems: model studies on vibrational relaxations and surface sticking processes. The Journal of Chemical Physics. 121: 9283-96. PMID 15538849 DOI: 10.1063/1.1807392 |
0.388 |
|
| 2004 |
Richter F, Hochlaf M, Rosmus P, Gatti F, Meyer HD. A study of the mode-selective trans--cis isomerization in HONO using ab initio methodology. The Journal of Chemical Physics. 120: 1306-17. PMID 15268256 DOI: 10.1063/1.1632471 |
0.419 |
|
| 2004 |
Iung C, Gatti F, Meyer HD. Intramolecular vibrational energy redistribution in the highly excited fluoroform molecule: a quantum mechanical study using the multiconfiguration time-dependent Hartree algorithm. The Journal of Chemical Physics. 120: 6992-8. PMID 15267599 DOI: 10.1063/1.1668639 |
0.419 |
|
| 2004 |
Richter F, Rosmus P, Gatti F, Meyer HD. Time-dependent wave packet study on trans-cis isomerization of HONO. The Journal of Chemical Physics. 120: 6072-84. PMID 15267491 DOI: 10.1063/1.1651051 |
0.417 |
|
| 2004 |
Lasorne B, Gatti F, Baloitcha E, Meyer HD, Desouter-Lecomte M. Cumulative isomerization probability studied by various transition state wave packet methods including the MCTDH algorithm. Benchmark: HCN-->CNH isomerization. The Journal of Chemical Physics. 121: 644-54. PMID 15260590 DOI: 10.1063/1.1760713 |
0.396 |
|
| 2004 |
Haxton DJ, Zhang Z, Meyer HD, Rescigno TN, McCurdy CW. Dynamics of dissociative attachment of electrons to water through the 2B1 metastable state of the anion Physical Review a - Atomic, Molecular, and Optical Physics. 69: 062714-1. DOI: 10.1103/Physreva.69.062714 |
0.546 |
|
| 2004 |
Lung C, Gatti F, Meyer HD. Intramolecular vibrational energy redistribution in the highly excited fluoroform molecule: A quantum mechanical study using the multiconfiguration time-dependent hartree algorithm Journal of Chemical Physics. 120: 6992-6998. DOI: 10.1063/1.1668639 |
0.308 |
|
| 2004 |
Sommerfeld T, Meyer H, Cederbaum LS. Potential energy surface of the CO2? anion Physical Chemistry Chemical Physics. 6: 42. DOI: 10.1039/B312005H |
0.426 |
|
| 2004 |
Gatti F, Meyer HD. Intramolecular vibrational energy redistribution in toluene: A nine-dimensional quantum mechanical study using the MCTDH algorithm Chemical Physics. 304: 3-15. DOI: 10.1016/J.Chemphys.2004.06.006 |
0.436 |
|
| 2003 |
Trin J, Monnerville M, Pouilly B, Meyer H. Photodissociation of the ArHBr complex investigated with the multiconfiguration time-dependent Hartree approach The Journal of Chemical Physics. 118: 600-609. DOI: 10.1063/1.1523013 |
0.405 |
|
| 2003 |
Meyer H, Worth GA. Quantum molecular dynamics: propagating wavepackets and density operators using the multiconfiguration time-dependent Hartree method Theoretical Chemistry Accounts. 109: 251-267. DOI: 10.1007/S00214-003-0439-1 |
0.4 |
|
| 2002 |
Sommerfeld T, Meyer HD. Computing the energy-dependent width of temporary anions from L2 ab initio methods Journal of Physics B: Atomic, Molecular and Optical Physics. 35: 1841-1863. DOI: 10.1088/0953-4075/35/8/304 |
0.387 |
|
| 2002 |
Köppel H, Döscher M, Bâldea I, Meyer H, Szalay PG. Multistate vibronic interactions in the benzene radical cation. II. Quantum dynamical simulations The Journal of Chemical Physics. 117: 2657-2671. DOI: 10.1063/1.1491398 |
0.335 |
|
| 2001 |
Cattarius C, Worth GA, Meyer H, Cederbaum LS. All mode dynamics at the conical intersection of an octa-atomic molecule: Multi-configuration time-dependent Hartree (MCTDH) investigation on the butatriene cation The Journal of Chemical Physics. 115: 2088-2100. DOI: 10.1063/1.1384872 |
0.378 |
|
| 1999 |
Brand J, Cederbaum LS, Meyer H. Dynamical Green’s function and an exact optical potential for electron-molecule scattering including nuclear dynamics Physical Review A. 60: 2983-2999. DOI: 10.1103/Physreva.60.2983 |
0.341 |
|
| 1999 |
Raab A, Worth GA, Meyer H, Cederbaum LS. Molecular dynamics of pyrazine after excitation to the S2 electronic state using a realistic 24-mode model Hamiltonian The Journal of Chemical Physics. 110: 936-946. DOI: 10.1063/1.478061 |
0.36 |
|
| 1996 |
Ehara M, Meyer H, Cederbaum LS. Multiconfiguration time‐dependent Hartree (MCTDH) study on rotational and diffractive inelastic molecule‐surface scattering The Journal of Chemical Physics. 105: 8865-8877. DOI: 10.1063/1.472616 |
0.52 |
|
| 1996 |
Worth GA, Meyer H, Cederbaum LS. The effect of a model environment on theS2absorption spectrum of pyrazine: A wave packet study treating all 24 vibrational modes The Journal of Chemical Physics. 105: 4412-4426. DOI: 10.1063/1.472327 |
0.344 |
|
| 1995 |
Kutz H, Meyer HD. Rotational excitation of N2 and Cl2 molecules by electron impact in the energy range 0.01-1000 eV: Investigation of excitation mechanisms. Physical Review. a, Atomic, Molecular, and Optical Physics. 51: 3819-3830. PMID 9912053 DOI: 10.1103/Physreva.51.3819 |
0.356 |
|
| 1995 |
Jäckle A, Meyer H. Reactive scattering using the multiconfiguration time‐dependent Hartree approximation: General aspects and application to the collinear H+H2→H2+H reaction The Journal of Chemical Physics. 102: 5605-5615. DOI: 10.1063/1.469292 |
0.378 |
|
| 1994 |
Hammerich AD, Manthe U, Kosloff R, Meyer H, Cederbaum LS. Time‐dependent photodissociation of methyl iodide with five active modes The Journal of Chemical Physics. 101: 5623-5646. DOI: 10.1063/1.467349 |
0.642 |
|
| 1993 |
Zähringer K, Meyer H, Cederbaum L, Tarantelli F, Sgamellotti A. All ab initio Auger spectra of HF and LiF: energies, intensities and vibrational shifts and broadenings Chemical Physics Letters. 206: 247-252. DOI: 10.1016/0009-2614(93)85548-3 |
0.324 |
|
| 1992 |
Manthe U, Meyer H, Cederbaum LS. Multiconfigurational time‐dependent Hartree study of complex dynamics: Photodissociation of NO2 The Journal of Chemical Physics. 97: 9062-9071. DOI: 10.1063/1.463332 |
0.621 |
|
| 1992 |
Manthe U, Meyer H, Cederbaum LS. Wave‐packet dynamics within the multiconfiguration Hartree framework: General aspects and application to NOCl The Journal of Chemical Physics. 97: 3199-3213. DOI: 10.1063/1.463007 |
0.624 |
|
| 1990 |
Ebel G, Krohne R, Meyer H, Buck U, Schinke R, Seelemann T, Andresen P, Schleipen J, ter Meulen JJ, Diercksen GHF. Rotationally inelastic scattering of NH3 with H2: Molecular‐beam experiments and quantum calculations The Journal of Chemical Physics. 93: 6419-6432. DOI: 10.1063/1.458958 |
0.376 |
|
| 1990 |
Meyer HD, Manthe U, Cederbaum LS. The multi-configurational time-dependent Hartree approach Chemical Physics Letters. 165: 73-78. DOI: 10.1016/0009-2614(90)87014-I |
0.564 |
|
| 1989 |
Meyer HD. Optical potentials for electron-molecule scattering: A comparative study on the N2 2 Pi g resonance. Physical Review. a, General Physics. 40: 5605-5613. PMID 9901943 DOI: 10.1103/Physreva.40.5605 |
0.332 |
|
| 1988 |
Meyer HD. The separation of the optical potential for electron-molecule scattering into a local and a non-local part Journal of Physics B: Atomic, Molecular and Optical. 21: 3777-3792. DOI: 10.1088/0953-4075/21/22/016 |
0.31 |
|
| 1987 |
Zimmermann T, Cederbaum LS, Meyer HD, Koeppel H. Statistical properties of energy levels The Journal of Physical Chemistry. 91: 4446-4455. DOI: 10.1021/J100301A006 |
0.314 |
|
| 1986 |
Meyer H, Buck U, Schinke R, Diercksen GHF. Rotationally inelastic scattering and potential calculation for NH3+He The Journal of Chemical Physics. 84: 4976-4987. DOI: 10.1063/1.450849 |
0.382 |
|
| 1986 |
Meyer H. Theory of the Liapunov exponents of Hamiltonian systems and a numerical study on the transition from regular to irregular classical motion Journal of Chemical Physics. 84: 3147-3161. DOI: 10.1063/1.450296 |
0.318 |
|
| 1986 |
Bačić Z, Buck U, Meyer H, Schinke R. Energy transfer in ammonia-dimer-helium collisions Chemical Physics Letters. 125: 47-52. DOI: 10.1016/0009-2614(86)85153-3 |
0.364 |
|
| 1985 |
Schinke R, Engel V, Buck U, Meyer H, Diercksen GHF. Rate constants for rotational transitions of CO scattered by para-hydrogen The Astrophysical Journal. 299: 939. DOI: 10.1086/163760 |
0.348 |
|
| 1984 |
Schinke R, Meyer H, Buck U, Diercksen GHF. A new rigid‐rotor H2–CO potential energy surface from accurateabinitiocalculations and rotationally inelastic scattering data The Journal of Chemical Physics. 80: 5518-5530. DOI: 10.1063/1.446663 |
0.39 |
|
| 1984 |
Meyer HD, Toennies JP. A classical path approximation for diffractive surface scattering Surface Science. 148: 58-71. DOI: 10.1016/0039-6028(84)90030-X |
0.492 |
|
| 1983 |
Meyer HD. The analytically continued S matrix for potentials defined as a sum of exponentials. II. the multichannel problem Journal of Physics B: Atomic and Molecular Physics. 16: 2785-2800. DOI: 10.1088/0022-3700/16/15/020 |
0.304 |
|
| 1980 |
Meyer H, Miller WH. Analysis and extension of some recently proposed classical models for electronic degrees of freedom The Journal of Chemical Physics. 72: 2272-2281. DOI: 10.1063/1.439462 |
0.542 |
|
| 1979 |
Meyer H, Miller WH. Classical models for electronic degrees of freedom: Derivation via spin analogy and application to F∗+H2→F+H2 The Journal of Chemical Physics. 71: 2156. DOI: 10.1063/1.438598 |
0.537 |
|
| 1970 |
Inacker O, Kuhn H, Bücher H, Meyer H, Tews KH. Monolayer assembling technique used to determine the multipole nature of the phosphorescence of a dye molecule Chemical Physics Letters. 7: 213-218. DOI: 10.1016/0009-2614(70)80292-5 |
0.305 |
|
| Show low-probability matches. |