PHYS 674-Using the initial value representation (IVR) of semiclassical (SC) theory to describe electronically non-adiabatic processes in molecular systems

被引：0

作者：

Miller, William H. ^{[1
]}

机构：

[1] Univ Calif Berkeley, Dept Chem, Berkeley, CA 94720 USA

来源：

ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY | 2006年 / 232卷

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D O I：

暂无

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

674-PHYS

引用

页数：1

共 10 条

[1] Semiclassical initial value representation for electronically non-adiabatic molecular dynamics.
Sun, X
Miller, WH
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1997, 213 : 94 - PHYS
[2] Electronically non-adiabatic dynamics via semiclassical initial value methods
Miller, William H.
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2010, 240
[3] PHYS 274-New developments in the application of the semiclassical (SC) initial value representation (IVR) for describing quantum effects in large molecular systems
Miller, William H.
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2006, 232
[4] Semiclassical reaction rate constant of non-adiabatic system by means of initial value representation
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Li, Xin-Zheng
AIP ADVANCES, 2024, 14 (03)
[5] Award Address (Ahmed Zewail Prize in Molecular Sciences, sponsored by Elsevier). Electronically non-adiabatic dynamics via semiclassical initial value methods
Miller, William H.
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2011, 241
[6] THEORY OF ELECTRONICALLY NON-ADIABATIC ELEMENTARY PROCESSES - SEMICLASSICAL MODEL CALCULATIONS FOR HARPOONING REACTIONS IN K + BR2 SYSTEM
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ZULICKE, L
NIKITIN, EE
ZEMBEKOV, AA
ZEITSCHRIFT FUR PHYSIKALISCHE CHEMIE-LEIPZIG, 1974, 255 (06): : 1179 - 1191
[7] Ultrafast non-adiabatic dynamics of systems with multiple surface crossings: a test of the Meyer-Miller Hamiltonian with semiclassical initial value representation methods
Coronado, EA
Xing, JH
Miller, WH
CHEMICAL PHYSICS LETTERS, 2001, 349 (5-6) : 521 - 529
[8] Using the initial value representation of semiclassical theory to add quantum effects to classical molecular dynamics simulations
Miller, William H.
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 2012, 243
[9] Modeling processes of non-radiative relaxation of electronically excited states of fluorescent probe 4-dimethylaminochalcone and its complexes with water using non-adiabatic molecular dynamics
Polyak, Boris M.
Sakovich, Ruslan A.
Gularyan, Samvel K.
Romanov, Alexey N.
Isakova, Svetlana I.
JOURNAL OF PHOTOCHEMISTRY AND PHOTOBIOLOGY A-CHEMISTRY, 2014, 278 : 89 - 96
[10] Time-dependent importance sampling in semi-classical initial value representation calculations for time correlation functions. III. A state-resolved implementation to electronically non-adiabatic dynamics
Tao, Guohua
Miller, William H.
MOLECULAR PHYSICS, 2013, 111 (14-15) : 1987 - 1993

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