scholarly journals Improved semiclassical dynamics through adiabatic switching trajectory sampling

2019 ◽  
Vol 151 (21) ◽  
pp. 214107 ◽  
Author(s):  
Riccardo Conte ◽  
Lorenzo Parma ◽  
Chiara Aieta ◽  
Alessandro Rognoni ◽  
Michele Ceotto
Keyword(s):  
Adiabatic Switching ◽  
Semiclassical Dynamics

Unified semiclassical dynamics for molecular resonance spectra

1989 ◽  
Vol 90 (11) ◽  
pp. 6086-6098 ◽  
Author(s):  
Lin Xiao ◽  
Michael E. Kellman
Keyword(s):  
Semiclassical Dynamics ◽  
Molecular Resonance

Semiclassical dynamics of the van der Waals states in O3(X 1A1)

2004 ◽  
Vol 120 (16) ◽  
pp. 7426-7437 ◽  
Author(s):  
Marc Joyeux ◽  
Reinhard Schinke ◽  
Sergy Yu. Grebenshchikov
Keyword(s):  
Van Der Waals ◽  
Semiclassical Dynamics

The semiclassical quantization of nonseparable systems using the method of adiabatic switching

1985 ◽  
Vol 82 (10) ◽  
pp. 4611-4632 ◽  
Author(s):  
Rex T. Skodje ◽  
F. Borondo ◽  
William P. Reinhardt
Keyword(s):  
Semiclassical Quantization ◽  
Adiabatic Switching

Adiabatic switching in time-dependent Fourier grid Hamiltonian method: some test cases

1996 ◽  
Vol 206 (3) ◽  
pp. 315-324 ◽  
Author(s):  
S. Adhikari ◽  
P. Dutta ◽  
S.P. Bhattacharyya
Keyword(s):  
Time Dependent ◽  
Test Cases ◽  
Hamiltonian Method ◽  
Adiabatic Switching

Classical and semiclassical dynamics in statistical environments with a mixed dynamical and statistical representation

2016 ◽  
Vol 18 (3) ◽  
pp. 1771-1785 ◽  
Author(s):  
Kazuo Takatsuka ◽  
Kentaro Matsumoto
Keyword(s):  
Free Energy ◽  
Real Time ◽  
Energy Functional ◽  
Basic Theory ◽  
Chemical Dynamics ◽  
Functional Surface ◽  
Spatial Gradients ◽  
Free Energy Functional ◽  
Statistical Representation ◽  
Semiclassical Dynamics

We present a basic theory to study real-time chemical dynamics embedded in a statistically treated large environment. It is shown that dynamically treated molecules should run on the free-energy functional surface, if and only if the spatial gradients of temperature functional are all zero.

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