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157 résultats

	Pour les 157 documents Envoyer sur ORCID RSS ATOM Exporter BibTeX XML-TEI CSV RTF EndNote PDF HTML Export avancé	Page : Page précédente 1 2 3 4 5 6 Page suivante	triés par Pertinence Auteur A→Z Auteur Z→A Titre A→Z Titre Z→A Date de publication croissante Date de publication décroissante Date de dépôt croissante Date de dépôt décroissante

		A hybrid approach of the multi-configuration time-dependent Hartree and filter-diagonalisation methods for computing bound-state spectra. Application to HO2 Fabien Gatti , M.H. Beck , Graham A. Worth , Hans-Dieter Meyer Physical Chemistry Chemical Physics, 2001, 3 (9), pp.1576-1582. ⟨10.1039/b009949j⟩ Article dans une revue hal-02047017v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Calculation of the vibrational excited states of malonaldehyde and their tunneling splittings with the multi-configuration time-dependent Hartree method Markus Schröder , Hans-Dieter Meyer Journal of Chemical Physics, 2014, 141 (3), pp.034116. ⟨10.1063/1.4890116⟩ Article dans une revue hal-02018592v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Product representation of potential energy surfaces A. Jäckle , Hans-Dieter Meyer Journal of Chemical Physics, 1996, 104 (20), pp.7974-7984. ⟨10.1063/1.471513⟩ Article dans une revue hal-02021284v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Dynamics of dissociative attachment of electrons to water through the B 1 2 metastable state of the anion Daniel Haxton , Zhiyong Zhang , Hans-Dieter Meyer , T. Rescigno , C. Mccurdy Physical Review A : Atomic, molecular, and optical physics [1990-2015], 2004, 69 (6), pp.062714. ⟨10.1103/PhysRevA.69.062714⟩ Article dans une revue hal-02021862v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Theoretical study of excitations in furan: Spectra and molecular dynamics E. V. Gromov , A. B. Trofimov , N. M. Vitkovskaya , H. Köppel , J. Schirmer , et al. Journal of Chemical Physics, 2004, 121 (10), pp.4585-4598. ⟨10.1063/1.1780160⟩ Article dans une revue hal-02021868v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Multidimensional density operator propagations in open systems: Model studies on vibrational relaxations and surface sticking processes Christoph Cattarius , Hans-Dieter Meyer Journal of Chemical Physics, 2004, 121 (19), pp.9283-9296 Article dans une revue hal-02021870v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Multistate vibronic interactions in difluorobenzene radical cations. II. Quantum dynamical simulations Shirin Faraji , Hans-Dieter Meyer , Horst Köppel Journal of Chemical Physics, 2008, 129 (7), pp.074311. ⟨10.1063/1.2958918⟩ Article dans une revue hal-02022013v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Effect of Light-Induced Conical Intersection on the Photodissociation Dynamics of the D 2 + Molecule Ágnes Vibók , Hans-Dieter Meyer , L. S. Cederbaum Journal of Physical Chemistry A, 2013, 117 (36), pp.8528-8535. ⟨10.1021/jp401476q⟩ Article dans une revue hal-02022106v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Molecular dynamics of pyrazine after excitation to the S2 electronic state using a realistic 24-mode model Hamiltonian A. Raab , Graham A. Worth , Hans-Dieter Meyer , L. S. Cederbaum Journal of Chemical Physics, 1999, 110 (2), pp.936-946. ⟨10.1063/1.478061⟩ Article dans une revue hal-02021723v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Multiconfigurational time‐dependent Hartree study of complex dynamics: Photodissociation of NO 2 Uwe Manthe , Hans-Dieter Meyer , L. S. Cederbaum Journal of Chemical Physics, 1992, 97 (12), pp.9062-9071. ⟨10.1063/1.463332⟩ Article dans une revue hal-02017525v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		New developments in the representation of Potential Energy Surfaces: The Singular-Value Decomposition Multigrid POTFIT (SVD-MGPF) algorithm Daniel Peláez-Ruiz , Hans-Dieter Meyer CECAM workshop: Challenges in reaction dynamics of gas-surface interactions and methodological advances in dissipative and non-adiabatic processes, Jun 2017, Toulouse, France Communication dans un congrès hal-01592210v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Full Dimensional (15D) Quantum-Dynamical Simulation of the Protonated Water-Dimer I: Hamiltonian Setup and Analysis of the Ground Vibrational State. Oriol Vendrell , Fabien Gatti , D. Lauvergnat , H.-D. Meyer Journal of Chemical Physics, 2007, 127 (18), pp.184302. ⟨10.1063/1.2787588⟩ Article dans une revue hal-00171330v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Rovibrational spectroscopy using a kinetic energy operator in Eckart frame and the multi-configuration time-dependent Hartree (MCTDH) approach Kevyan Sadri , David Lauvergnat , Fabien Gatti , Hans-Dieter Meyer Journal of Chemical Physics, 2014, 141, pp.114101. ⟨10.1063/1.4895557⟩ Article dans une revue hal-01064434v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		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)] Frank Otto , Fabien Gatti , Hans-Dieter Meyer Journal of Chemical Physics, 2009, 131 (4), pp.049901. ⟨10.1063/1.3185353⟩ Article dans une revue hal-02022035v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Photodissociation of a HCl molecule adsorbed on ice Sylvain Woittequand , Céline Toubin , Brigitte Pouilly , Maurice Monnerville , Stéphane Briquez , et al. Chemical Physics Letters, 2005, 406 (1-3), pp.202-209. ⟨10.1016/j.cplett.2005.02.101⟩ Article dans une revue istex hal-02047018v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Classical and quantum studies of the photodissociation of a HX (X=Cl,F) molecule adsorbed on ice S. Woittequand , D. Duflot , M. Monnerville , B. Pouilly , C. Toubin , et al. Journal of Chemical Physics, 2007, 127, pp.4717. ⟨10.1063/1.2799519⟩ Article dans une revue hal-00880776v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Absorption Cross Section of Ozone Isotopologues Calculated with the Multiconfiguration Time-Dependent Hartree (MCTDH) Method: I. The Hartley and Huggins Bands. Steve Ndengué , Fabien Gatti , Reinhard Schincke , Hans-Dieter Meyer , Rémy Jost Journal of Physical Chemistry A, 2010, 114, pp.9855. ⟨10.1021/jp103266m⟩ Article dans une revue hal-00522288v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Frequency dispersed transient absorption spectra of dissolved perylene: A case study using the density matrix version of the MCTDH method Ben Brüggemann , Petter Persson , Hans-Dieter Meyer , Volkhard May Chemical Physics, 2008, 347 (1-3), pp.152-165. ⟨10.1016/j.chemphys.2007.11.001⟩ Article dans une revue istex hal-02021997v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Multiconfiguration time-dependent Hartree and classical dynamics studies of the photodissociation of HF and HCl molecules adsorbed on ice: Extension to three dimensions Sylvain Woittequand , Céline Toubin , Maurice Monnerville , Stéphane Briquez , Brigitte Pouilly , et al. Journal of Chemical Physics, 2009, 131 (19), pp.194303. ⟨10.1063/1.3263605⟩ Article dans une revue hal-02047031v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Full-dimensional MCTDH/MGPF study of the ground and lowest lying vibrational states of the bihydroxide H₃O₂^- complex Daniel Peláez , Kevyan Sadri , Hans-Dieter Meyer Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy [1994-..], 2014, 119, pp.52-51. ⟨10.1016/j.saa.2013.05.008⟩ Article dans une revue hal-01225804v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Numerical Studies of the Tunneling Splitting of Malonaldehyde and the Eigenstates of Hydrated Hydroxide Anion Using MCTDH Markus Schröder , Daniel Peláez , Hans-Dieter Meyer Nagel Wolfgang; Kröner Ditmar H.; Resch Michael M. High Performance Computing in Science and Engineering ’13, Springer International Edition, pp.201-218, 2013, ⟨10.1007/978-3-319-02165-2_15⟩ Chapitre d'ouvrage istex hal-01231241v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Approaches to the approximate treatment of complex molecular systems by the multiconfiguration time-dependent Hartree method Irene Burghardt , Hans-Dieter Meyer , L. S. Cederbaum Journal of Chemical Physics, 1999, 111 (7), pp.2927-2939. ⟨10.1063/1.479574⟩ Article dans une revue hal-02021729v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Extracting accurate bound-state spectra from approximate wave packet propagation using the filter-diagonalization method M.H. Beck , Hans-Dieter Meyer Journal of Chemical Physics, 1998, 109 (10), pp.3730-3741. ⟨10.1063/1.476974⟩ Article dans une revue hal-02047015v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Ultracold few-boson systems in a double-well trap Sascha Zöllner , Hans-Dieter Meyer , Peter Schmelcher Physical Review A : Atomic, molecular, and optical physics [1990-2015], 2006, 74 (5), ⟨10.1103/PhysRevA.74.053612⟩ Article dans une revue hal-02047024v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Product representation of potential energy surfaces. II A. Jäckle , Hans-Dieter Meyer Journal of Chemical Physics, 1998, 109 (10), pp.3772-3779. ⟨10.1063/1.476977⟩ Article dans une revue hal-02021328v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Reactive scattering using the multiconfiguration time‐dependent Hartree approximation: General aspects and application to the collinear H+H 2 →H 2 +H reaction A. Jäckle , Hans-Dieter Meyer Journal of Chemical Physics, 1995, 102 (14), pp.5605-5615. ⟨10.1063/1.469292⟩ Article dans une revue hal-02021230v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Tunneling dynamics of a few bosons in a double well Sascha Zöllner , Hans-Dieter Meyer , Peter Schmelcher Physical Review A : Atomic, molecular, and optical physics [1990-2015], 2008, 78 (1), pp.013621. ⟨10.1103/PhysRevA.78.013621⟩ Article dans une revue hal-02021999v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Exact decay and tunnelling dynamics of interacting few-boson systems Axel Lode , Alexej Streltsov , Ofir Alon , Hans-Dieter Meyer , L. S. Cederbaum Journal of Physics B: Atomic, Molecular and Optical Physics, 2009, 42 (4), pp.044018. ⟨10.1088/0953-4075/42/4/044018⟩ Article dans une revue istex hal-02022022v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		On the Effect of Initial Rotation on Reactivity. A Multi-Configuration Time-Dependent Hartree (MCTDH) Wave Packet Propagation Study on the H + D 2 and D + H 2 Reactive Scattering Systems † Suren Sukiasyan , Hans-Dieter Meyer Journal of Physical Chemistry A, 2001, 105 (12), pp.2604-2611. ⟨10.1021/jp003767m⟩ Article dans une revue istex hal-02021801v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More
		Representation of Diabatic Potential Energy Matrices for Multiconfiguration Time-Dependent Hartree Treatments of High-Dimensional Nonadiabatic Photodissociation Dynamics Shanyu Han , Markus Schröder , Fabien Gatti , Hans-Dieter Meyer , David Lauvergnat , et al. Journal of Chemical Theory and Computation, 2022, 18 (8), pp.4627-4638. ⟨10.1021/acs.jctc.2c00370⟩ Article dans une revue hal-03774051v1	Envoyer sur ORCID Exporter BibTeX XML-TEI Dublin Core DC Terms EndNote DataCite Export avancé Partager Gmail Facebook X LinkedIn More

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A hybrid approach of the multi-configuration time-dependent Hartree and filter-diagonalisation methods for computing bound-state spectra. Application to HO2

Calculation of the vibrational excited states of malonaldehyde and their tunneling splittings with the multi-configuration time-dependent Hartree method

Product representation of potential energy surfaces

Dynamics of dissociative attachment of electrons to water through the B 1 2 metastable state of the anion

Theoretical study of excitations in furan: Spectra and molecular dynamics

Multidimensional density operator propagations in open systems: Model studies on vibrational relaxations and surface sticking processes

Multistate vibronic interactions in difluorobenzene radical cations. II. Quantum dynamical simulations

Effect of Light-Induced Conical Intersection on the Photodissociation Dynamics of the D 2 + Molecule

Molecular dynamics of pyrazine after excitation to the S2 electronic state using a realistic 24-mode model Hamiltonian

Multiconfigurational time‐dependent Hartree study of complex dynamics: Photodissociation of NO 2

New developments in the representation of Potential Energy Surfaces: The Singular-Value Decomposition Multigrid POTFIT (SVD-MGPF) algorithm

Full Dimensional (15D) Quantum-Dynamical Simulation of the Protonated Water-Dimer I: Hamiltonian Setup and Analysis of the Ground Vibrational State.

Rovibrational spectroscopy using a kinetic energy operator in Eckart frame and the multi-configuration time-dependent Hartree (MCTDH) approach

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)]

Photodissociation of a HCl molecule adsorbed on ice

Classical and quantum studies of the photodissociation of a HX (X=Cl,F) molecule adsorbed on ice

Absorption Cross Section of Ozone Isotopologues Calculated with the Multiconfiguration Time-Dependent Hartree (MCTDH) Method: I. The Hartley and Huggins Bands.

Frequency dispersed transient absorption spectra of dissolved perylene: A case study using the density matrix version of the MCTDH method

Multiconfiguration time-dependent Hartree and classical dynamics studies of the photodissociation of HF and HCl molecules adsorbed on ice: Extension to three dimensions

Full-dimensional MCTDH/MGPF study of the ground and lowest lying vibrational states of the bihydroxide H3O2- complex

Numerical Studies of the Tunneling Splitting of Malonaldehyde and the Eigenstates of Hydrated Hydroxide Anion Using MCTDH

Approaches to the approximate treatment of complex molecular systems by the multiconfiguration time-dependent Hartree method

Extracting accurate bound-state spectra from approximate wave packet propagation using the filter-diagonalization method

Ultracold few-boson systems in a double-well trap

Product representation of potential energy surfaces. II

Reactive scattering using the multiconfiguration time‐dependent Hartree approximation: General aspects and application to the collinear H+H 2 →H 2 +H reaction

Tunneling dynamics of a few bosons in a double well

Exact decay and tunnelling dynamics of interacting few-boson systems

On the Effect of Initial Rotation on Reactivity. A Multi-Configuration Time-Dependent Hartree (MCTDH) Wave Packet Propagation Study on the H + D 2 and D + H 2 Reactive Scattering Systems †

Representation of Diabatic Potential Energy Matrices for Multiconfiguration Time-Dependent Hartree Treatments of High-Dimensional Nonadiabatic Photodissociation Dynamics

Full-dimensional MCTDH/MGPF study of the ground and lowest lying vibrational states of the bihydroxide H₃O₂^- complex