相关参考文献
注意:仅列出部分参考文献,下载原文获取全部文献信息。The vibronic level structure of the cyclopentadienyl radical
Takatoshi Ichino et al.
JOURNAL OF CHEMICAL PHYSICS (2008)
Determining quasidiabatic coupled electronic state Hamiltonians using derivative couplings: A normal equations based method
Brian N. Papas et al.
JOURNAL OF CHEMICAL PHYSICS (2008)
Real or artifactual symmetry breaking in the BNB radical: A multireference coupled cluster viewpoint
Xiangzhu Li et al.
JOURNAL OF CHEMICAL PHYSICS (2007)
On the vibronic level structure in the NO3 radical.: I.: The ground electronic statel
John F. Stanton
JOURNAL OF CHEMICAL PHYSICS (2007)
Which masses are vibrating or rotating in a molecule?
Werner Kutzelnigg
MOLECULAR PHYSICS (2007)
Isomerization through conical intersections
Benjamin G. Levine et al.
ANNUAL REVIEW OF PHYSICAL CHEMISTRY (2007)
Analytic calculation of the diagonal Born-Oppenheimer correction within configuration-interaction and coupled-cluster theory
Juergen Gauss et al.
JOURNAL OF CHEMICAL PHYSICS (2006)
Nonadiabatic effects in the photoelectron spectrum of the pyrazolide-d3 anion:: Three-state interactions in the pyrazolyl-d3 radical
Takatoshi Ichino et al.
JOURNAL OF CHEMICAL PHYSICS (2006)
Vibronic coupling in the excited cationic states of ethylene: Simulation of the photoelectron spectrum between 12 and 18 eV
A Hazra et al.
JOURNAL OF CHEMICAL PHYSICS (2005)
Comparison of various Franck-Condon and vibronic coupling approaches for simulating electronic spectra: The case of the lowest photoelectron band of ethylene
A Hazra et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2005)
Analytic evaluation of nonadiabatic coupling terms at the MR-CI level. I. Formalism
H Lischka et al.
JOURNAL OF CHEMICAL PHYSICS (2004)
Introductory lecture: Nonadiabatic effects in chemical dynamics
AW Jasper et al.
FARADAY DISCUSSIONS (2004)
First-principles simulation of the UV absorption spectrum of ketene
M Nooijen
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY (2003)
Conical intersections of three electronic states affect the ground state of radical species with little or no symmetry: Pyrazolyl
S Matsika et al.
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY (2003)
An effective model for the X 2A1-A 2B2 conical intersection in NO2
M Joyeux et al.
JOURNAL OF CHEMICAL PHYSICS (2003)
The diagonal Born-Oppenheimer correction beyond the Hartree-Fock approximation
EF Valeev et al.
JOURNAL OF CHEMICAL PHYSICS (2003)
The X2A1-A2B2 conical intersection in NO2:: determination of the coupling parameter λ from high-resolution experimental data
R Jost et al.
CHEMICAL PHYSICS (2002)
Direct diabatization of electronic states by the fourfold way. II. Dynamical correlation and rearrangement processes
H Nakamura et al.
JOURNAL OF CHEMICAL PHYSICS (2002)
Multistate vibronic interactions in the benzene radical cation.: II.: Quantum dynamical simulations
H Köppel et al.
JOURNAL OF CHEMICAL PHYSICS (2002)
Coupled-cluster theory, pseudo-Jahn-Teller effects and conical intersections
JF Stanton
JOURNAL OF CHEMICAL PHYSICS (2001)
All mode dynamics at the conical intersection of an octa-atomic molecule: Multi-configuration time-dependent Hartree (MCTDH) investigation on the butatriene cation
C Cattarius et al.
JOURNAL OF CHEMICAL PHYSICS (2001)
On the photoelectron spectrum of p-benzoquinone
JF Stanton et al.
JOURNAL OF CHEMICAL PHYSICS (2001)
Nonadiabatic wave packet dynamics on the coupled (X)over-tilde2A1/(A)over-tilde2B2 electronic states of NO2 based on new ab initio potential energy surfaces
S Mahapatra et al.
CHEMICAL PHYSICS (2000)
Nonadiabatic trajectories at an exhibition
MD Hack et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2000)