scholarly journals On the adiabatic representation of Meyer-Miller electronic-nuclear dynamics

2017 ◽  
Vol 147 (6) ◽  
pp. 064112 ◽  
Author(s):  
Stephen J. Cotton ◽  
Ruibin Liang ◽  
William H. Miller
Keyword(s):  
Nuclear Dynamics ◽  
Adiabatic Representation

A GEOMETRIC APPROACH TO DISSIPATION AND ITS APPLICATION TO DISSIPATIVE NUCLEAR DYNAMICS

1984 ◽  
Vol 45 (C6) ◽  
pp. C6-87-C6-94
Author(s):  
H. Reinhardt ◽  
R. Balian ◽  
Y. Alhassid
Keyword(s):  
Geometric Approach ◽  
Nuclear Dynamics

Introduction

2018 ◽  
Author(s):  
Niels Engholm Henriksen ◽  
Flemming Yssing Hansen
Keyword(s):  
Schrödinger Equation ◽  
Schrodinger Equation ◽  
Degrees Of Freedom ◽  
State Level ◽  
Boltzmann Distribution ◽  
Theoretical Description ◽  
Time Dependent ◽  
Nuclear Dynamics ◽  
Molecular Reaction ◽  
Oppenheimer Approximation

This introductory chapter considers first the relation between molecular reaction dynamics and the major branches of physical chemistry. The concept of elementary chemical reactions at the quantized state-to-state level is discussed. The theoretical description of these reactions based on the time-dependent Schrödinger equation and the Born–Oppenheimer approximation is introduced and the resulting time-dependent Schrödinger equation describing the nuclear dynamics is discussed. The chapter concludes with a brief discussion of matter at thermal equilibrium, focusing at the Boltzmann distribution. Thus, the Boltzmann distribution for vibrational, rotational, and translational degrees of freedom is discussed and illustrated.

scholarly journals Electron–Nuclear Dynamics Accompanying Proton-Coupled Electron Transfer

2021 ◽  
Vol 143 (8) ◽  
pp. 3104-3112
Author(s):  
Yusuke Yoneda ◽  
S. Jimena Mora ◽  
James Shee ◽  
Brian L. Wadsworth ◽  
Eric A. Arsenault ◽  
...  
Keyword(s):  
Electron Transfer ◽  
Nuclear Dynamics ◽  
Proton Coupled Electron Transfer

Coherent Nuclear Dynamics in Ultrafast Photoinduced Structural Change of Bis(diimine)copper(I) Complex

2011 ◽  
Vol 133 (20) ◽  
pp. 7728-7736 ◽  
Author(s):  
Munetaka Iwamura ◽  
Hidekazu Watanabe ◽  
Kunihiko Ishii ◽  
Satoshi Takeuchi ◽  
Tahei Tahara
Keyword(s):  
Structural Change ◽  
Nuclear Dynamics

Charge and Nuclear Dynamics Induced by Deep Inner-Shell Multiphoton Ionization of CH3I Molecules by Intense X-ray Free-Electron Laser Pulses

2015 ◽  
Vol 6 (15) ◽  
pp. 2944-2949 ◽  
Author(s):  
Koji Motomura ◽  
Edwin Kukk ◽  
Hironobu Fukuzawa ◽  
Shin-ichi Wada ◽  
Kiyonobu Nagaya ◽  
...  
Keyword(s):  
Free Electron ◽  
Free Electron Laser ◽  
Multiphoton Ionization ◽  
Laser Pulses ◽  
Nuclear Dynamics ◽  
X Ray
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