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知网期刊论文(5)
在“
Elsevier电子期刊
”中,
命中:
45
条,耗时:小于0.01 秒
在所有数据库中总计命中:
26
条
1.
Atom-triatom rigid rotor inelastic scattering with the MultiConfiguration Time Dependent Hartree approach
作者:
Steve Ndengué
;
a
;
Richard Dawes
a
;
dawesr@mst.edu
;
Fabien Gatti
b
;
Hans-Dieter Meyer
c
关键词:
Quantum dynamics
;
Inelastic scattering
;
Time-dependent
;
Close-coupling
刊名:Chemical Physics Letters
出版年:2017
2.
Population of triplet states in acetophenone: A quantum dynamics perspective
作者:
Miquel Huix-Rotllant
a
;
b
;
miquel.huixrotllant@univ-amu.fr" class="auth_mail" title="E-mail the corresponding author
;
Irene Burghardt
a
;
Nicolas Ferré
;
b
;
nicolas.ferre@univ-amu.fr" class="auth_mail" title="E-mail the corresponding author
关键词:
Photochemistry
;
Femtochemistry
;
Chromophores
;
Aromatic ketones
;
Quantum chemistry
;
Conical intersections
;
Molecular dynamics
刊名:Comptes Rendus Chimie
出版年:2016
3.
Neural network exponential fitting of a potential energy surface with multiple minima: Application to HFCO
作者:
Ekadashi Pradhan
;
Alex Brown
;
alex.brown@ualberta.ca
关键词:
HFCO
;
HOCF
;
Potential energy surface
;
Neural network
;
Vibrational frequencies
;
cis&ndash
;
trans isomers
刊名:Journal of Molecular Spectroscopy
出版年:2016
4.
Electron correlation effects on polarons recombination in coupled polymer chains
作者:
Y.L. Zhang
;
X.J. Liu
;
Z. An
;
zan@mail.hebtu.edu.cn" class="auth_mail" title="E-mail the corresponding author
关键词:
Conjugated polymers
;
Electron&ndash
;
electron interactions
;
Su&ndash
;
Schrieffer&ndash
;
Heeger + Pariser&ndash
;
Parr&ndash
;
Pople model
;
Intrachain excitons
刊名:Organic Electronics
出版年:2016
5.
Nonadiabatic photodynamics of phenol on a realistic potential energy surface by a novel multilayer Gaussian
MCTDH
program
作者:
D. Skouteris
;
dimitrios.skouteris@sns.it" class="auth_mail" title="E-mail the corresponding author
;
V. Barone
刊名:Chemical Physics Letters
出版年:2015
6.
Full-dimensional
MCTDH
/MGPF study of the ground and lowest lying vibrational states of the bihydroxide complex
作者:
Daniel Pel谩ez
;
Keyvan Sadri
;
Hans-Dieter Meyer
关键词:
Vibrational spectroscopy
;
Proton transfer
;
Quantum dynamics
;
MCTDH
;
Numerical kinetic energy operator
;
MGPF
刊名:Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy
出版年:5 February, 2014
7.
Suitable coordinates for quantum dynamics: Applications using the multiconfiguration time-dependent Hartree (
MCTDH
) algorithm
作者:
Loï
;
c Joubert-Doriol
a
;
Loic.Joubert-Doriol@univ-montp2.fr
;
Benjamin Lasorne
a
;
Benjamin.Lasorne@univ-montp2.fr
;
Fabien Gatti
a
;
gatti@univ-montp2.fr
;
Markus Schrö
;
der
b
;
markus.schroeder@pci.uni-heidelberg.de
;
Oriol Vendrell
b
;
c
;
oriol.vendrell@cfel.de
;
Hans-Dieter Meyer
b
;
hans-dieter.meyer@pci.uni-heidelberg.de
关键词:
Quantum dynamics
;
MCTDH
;
Curvilinear coordinates
刊名:Computational and Theoretical Chemistry
出版年:2012
8.
Time and intensity dependence of total ionization of helium studied with the multi-configuration time-dependent Hartree-Fock method
作者:
Wenliang Li
a
;
Wenwu Xu
a
;
Tianshu Chu
a
;
b
;
tschu@dicp.ac.cn
;
tschu008@163.com
关键词:
MCTDH
F method
;
3D model helium atom
;
Strong laser field
;
Total ionization probability
刊名:Computational and Theoretical Chemistry
出版年:2013
9.
Recursive formulation of the multiconfigurational time-dependent Hartree method for fermions, bosons and mixtures thereof in terms of one-body density operators
作者:
Ofir E. Alon
a
;
ofir@research.haifa.ac.il
;
Alexej I. Streltsov
b
;
alexej.streltsov@pci.uni-heidelberg.de
;
Kaspar Sakmann
b
;
kaspar.sakmann@pci.uni-heidelberg.de
;
Axel U.J. Lode
b
;
axel.lode@pci.uni-heidelberg.de
;
Julian Grond
b
;
julian.grond@pci.uni-heidelberg.de
;
Lorenz S. Cederbaum
b
;
lorenz.cederbaum@pci.uni-heidelberg.de
关键词:
Time-dependent many-particle Schrö
;
dinger equation
;
Dirac&ndash
;
Frenkel variational principle
;
Multiconfigurational time-dependent Hartree (
MCTDH
)
;
Reduced density matrices
;
Fock-space mapping of bosonic and fermionic operators
;
MCTDH
for fermions (MC
刊名:Chemical Physics
出版年:2012
10.
MCTDH
calculations on the rigid OH radical moving along a (10,0) carbon nanotube
作者:
Dimitrios Skouteris
;
dimitris@dyn.unipg.it
;
dimitris@impact.dyn.unipg.it
;
Antonio Laganà
刊名:Chemical Physics Letters
出版年:2013
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