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知网期刊论文(3)
在“
Elsevier电子期刊
”中,
命中:
14
条,耗时:小于0.01 秒
在所有数据库中总计命中:
14
条
1.
Vertical transition energies vs. absorption maxima: Illustration with the UV absorption spectrum of ethylene
作者:
Benjamin Lasorne
;
Joaquim Jornet-Somoza
;
Hans-Dieter Meyer
;
David Lauvergnat
;
Michael A. Robb
;
Fabien
Gatti
关键词:
UV&ndash
;
visible spectroscopy
;
Absorption maximum
;
Excited-state quantum chemistry
;
Vertical transition energy
;
Franck&ndash
;
Condon factors
;
Ethylene
刊名:Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy
出版年:5 February, 2014
2.
Exact and constrained kinetic energy operators for polyatomic molecules: The polyspherical approach
作者:
Fabien
Gatti
;
Christophe Iung
关键词:
Quantum molecular dynamics
;
Curvilinear coordinates
;
Polyspherical coordinates
;
Kinetic energy operator
刊名:Physics Reports
出版年:2009
3.
Photoinduced nonadiabatic dynamics of ethene: Six-dimensional wave packet propagations using two different approximations of the kinetic energy operator
作者:
Michael R. Brill
;
Fabien
Gatti
;
David Lauvergnat
;
Hans-Dieter Meyer
关键词:
Ethene
;
Nonadiabatic transitions
;
MCTDH
;
Wavepacket dynamics
刊名:Chemical Physics
出版年:2007
4.
Calculation and selective population of vibrational levels with the Multiconfiguration Time-Dependent Hartree (MCTDH) algorithm
作者:
Hans-Dieter Meyer
;
Fré
;
dé
;
ric Le Qué
;
ré
;
Cé
;
line Lé
;
onard and
Fabien
Gatti
关键词:
MCTDH
;
IVR
;
Vibrational energies
;
Selective population
;
H2CS
刊名:Chemical Physics
出版年:2006
5.
Flexible monomer formulation for non-rigid systems
作者:
Gatti
;
Fabien
刊名:Chemical Physics Letters
出版年:2003
6.
Intramolecular vibrational energy redistribution in toluene: a nine-dimensional quantum mechanical study using the MCTDH algorithm
作者:
Gatti
;
Fabien
;
Meyer
;
Hans-Dieter
刊名:Chemical Physics
出版年:2004
7.
One-dimensional quantum description of the bending vibrations of HCN/CNH for high values of the total angular momentum
作者:
Justum
;
Yves
;
Gatti
;
Fabien
;
Lauvergnat
;
David
;
Nauts
;
André
;
Chapuisat
;
Xavier
关键词:
Quantum number
;
Rovibrational states
;
One-dimensional model
;
High-value angular momentum
刊名:Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy
出版年:2002
8.
Vector parametrization, partial angular momenta and unusual commutation relations in physics
作者:
Gatti
;
Fabien
;
Nauts
;
André
刊名:Chemical Physics
出版年:2003
9.
One-dimensional quantum description of the bending vibrations of HCN/CNH
作者:
Justum
;
Yves
;
Gatti
;
Fabien
;
Chapuisat
;
Xavier
关键词:
Isomerization
;
Spectroscopy
;
Reaction path
刊名:Journal of Molecular Structure: THEOCHEM
出版年:1998
10.
Vector parametrization of the three-atom problem in quantum mechanics II. Valence vectors
作者:
Gatti
;
Fabien
;
Iung
;
Christophe
;
Chapuisat
;
Xavier
关键词:
Vector parametrization
;
Three-atom problem
;
Quantum mechanics
;
Valence vectors
刊名:Journal of Molecular Structure: THEOCHEM
出版年:1998
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