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 excited states of K3 cluster: The molecular symmetry adapted non-adiabatic coupling terms and diabatic Hamiltonian matrix
Saikat Mukherjee et al.
CHEMICAL PHYSICS (2014)
Pseudo-Jahn-Teller Effect-A Two-State Paradigm in Formation, Deformation, and Transformation of Molecular Systems and Solids
Isaac B. Bersuker
CHEMICAL REVIEWS (2013)
Construction of Diabatic Hamiltonian Matrix from ab Initio Calculated Molecular Symmetry Adapted Nonadiabatic Coupling Terms and Nuclear Dynamics for the Excited States of Na3 Cluster
Saikat Mukherjee et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2013)
Role of Conical Intersections in Molecular Spectroscopy and Photoinduced Chemical Dynamics
Wolfgang Domcke et al.
ANNUAL REVIEW OF PHYSICAL CHEMISTRY, VOL 63 (2012)
Fundamental Approaches to Nonadiabaticity: Toward a Chemical Theory beyond the Born-Oppenheimer Paradigm
Takehiro Yonehara et al.
CHEMICAL REVIEWS (2012)
Nonadiabatic Quantum Chemistry-Past, Present, and Future
David R. Yarkony
CHEMICAL REVIEWS (2012)
Ab initio calculations on the excited states of Na3 cluster to explore beyond Born-Oppenheimer theories: Adiabatic to diabatic potential energy surfaces and nuclear dynamics
Amit Kumar Paul et al.
JOURNAL OF CHEMICAL PHYSICS (2011)
Molecular Symmetry Properties of Conical Intersections and Nonadiabatic Coupling Terms: Theory and Quantum Chemical Demonstration for Cyclopenta-2,4-dienimine (C5H4NH)
S. Al-Jabour et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2010)
A Rigorous Approach to the Formulation of Extended Born-Oppenheimer Equation for a Three-State System
Biplab Sarkar et al.
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY (2009)
Single surface beyond Born-Oppenheimer equation for a three-state model Hamiltonian of Na3 cluster
Amit Kumar Paul et al.
JOURNAL OF CHEMICAL PHYSICS (2009)
Accurate ab initio based multisheeted double many-body expansion potential energy surface for the three lowest electronic singlet states of H3+
Luis P. Viegas et al.
JOURNAL OF CHEMICAL PHYSICS (2007)
Conical intersections involving the dissociative (1)pi sigma* state in 9H-adenine: a quantum chemical ab initio study
Wilfredo Credo Chung et al.
PHYSICAL CHEMISTRY CHEMICAL PHYSICS (2007)
Extended Born-Oppenheimer equation for a three-state system
B Sarkar et al.
JOURNAL OF CHEMICAL PHYSICS (2006)
Insights for light-driven molecular devices from ab initio multiple spawning excited-state dynamics of organic and biological chromophores
TJ Martínez
ACCOUNTS OF CHEMICAL RESEARCH (2006)
Symmetry analysis of the vibronic states in the upper conical potential (23A') of triplet H+3
LP Viegas et al.
JOURNAL OF PHYSICAL CHEMISTRY A (2005)
A novel accurate representation of a double-valued potential energy surface by the DMBE method.: Application to triplet H+3(a3 E′)
AJC Varandas et al.
CHEMICAL PHYSICS (2005)
Accurate double many-body expansion potential energy surface for triplet H-3(+). II. The upper adiabatic sheet (2 (3)A ')
LP Viegas et al.
JOURNAL OF CHEMICAL PHYSICS (2004)
Accurate double many-body expansion potential energy surface for triplet H3+.: I.: The lowest adiabatic sheet (a3Σu+)
M Cernei et al.
JOURNAL OF CHEMICAL PHYSICS (2003)
Introduction to the theory of electronic non-adiabatic coupling terms in molecular systems
M Baer
PHYSICS REPORTS-REVIEW SECTION OF PHYSICS LETTERS (2002)
An optimal adiabatic-to-diabatic transformation of the 1 2A′ and 2 2A′ states of H3
R Abrol et al.
JOURNAL OF CHEMICAL PHYSICS (2002)
Accurate quantum dynamics of electronically nonadiabatic chemical reactions in the DH2+ system
H Kamisaka et al.
JOURNAL OF CHEMICAL PHYSICS (2002)
Properties of nonadiabatic couplings and the generalized Born-Oppenheimer approximation
BK Kendrick et al.
CHEMICAL PHYSICS (2002)
Mechanism for the destruction of H3+ ions by electron impact
V Kokoouline et al.
NATURE (2001)
Bound ro-vibronic states of triplet H3+
O Friedrich et al.
PHYSICAL REVIEW LETTERS (2001)
The lowest triplet state 3A′of H3+:: Global potential energy surface and vibrational calculations
C Sanz et al.
JOURNAL OF CHEMICAL PHYSICS (2001)
Extended approximated Born-Oppenheimer equation - I. Theory.
M Baer et al.
PHYSICAL REVIEW A (2000)
Extended approximated Born-Oppenheimer equation. II. Application
S Adhikari et al.
PHYSICAL REVIEW A (2000)
Nuclear dynamics in the vicinity of the crossing seam:: Theory and application to vibrational spectrum of H3
AJC Varandas et al.
JOURNAL OF CHEMICAL PHYSICS (2000)
Global potential energy surfaces for the H+3 system.: Analytical representation of the adiabatic ground-state 1 1A′ potential
A Aguado et al.
JOURNAL OF CHEMICAL PHYSICS (2000)