Coherent state based solutions of the time-dependent Schrödinger equation: hierarchy of approximations to the variational principle
M Werther, SL Choudhury… - International Reviews in …, 2021 - Taylor & Francis
In this review, we give a comprehensive comparison of the most widely used coherent state
(CS) based methods to solve the time-dependent Schrödinger equation (TDSE). Starting …
(CS) based methods to solve the time-dependent Schrödinger equation (TDSE). Starting …
Classical dynamics of chemical reactions in a quantum spirit
L Bonnet - International Reviews in Physical Chemistry, 2013 - Taylor & Francis
Molecular beam experiments provide fascinating data on how atoms move in the course of
chemical reactions. In order to theoretically reproduce these data at relatively low …
chemical reactions. In order to theoretically reproduce these data at relatively low …
The semiclassical initial value representation: A potentially practical way for adding quantum effects to classical molecular dynamics simulations
WH Miller - The Journal of Physical Chemistry A, 2001 - ACS Publications
The semiclassical (SC) initial value representation (IVR) provides a potentially practical way
for adding quantum mechanical effects to classical molecular dynamics (MD) simulations of …
for adding quantum mechanical effects to classical molecular dynamics (MD) simulations of …
Spiers memorial lecture quantum and semiclassical theory of chemical reaction rates
WH Miller - Faraday Discussions, 1998 - pubs.rsc.org
Transition state theory (TST) has provided the qualitative picture of chemical reaction rates
for over sixty years. Recent theoretical developments, however, have made it possible to …
for over sixty years. Recent theoretical developments, however, have made it possible to …
Generalized forward–backward initial value representation for the calculation of correlation functions in complex systems
The capability of two different, recently proposed semiclassical SC forward–backward FB
initial value representations IVR to describe quantum interference and coherence effects is …
initial value representations IVR to describe quantum interference and coherence effects is …
Multidimensional quantum propagation with the help of coupled coherent states
DV Shalashilin, MS Child - The Journal of Chemical Physics, 2001 - pubs.aip.org
A previous initial value coupled coherent state (CCS) representation is applied to Gaussian
wave packet propagation on multidimensional Henon Heiles potentials. Solutions of the time …
wave packet propagation on multidimensional Henon Heiles potentials. Solutions of the time …
Semiclassical description of quantum coherence effects and their quenching: A forward–backward initial value representation study
The forward–backward (FB) version of the semiclassical (SC) initial value representation
(IVR) is used to study quantum coherence effects in the time-dependent probability …
(IVR) is used to study quantum coherence effects in the time-dependent probability …
Forward–backward initial value representation for the calculation of thermal rate constants for reactions in complex molecular systems
The semiclassical (SC) initial value representation (IVR) provides a potentially practical way
for including quantum effects into classical molecular dynamics simulations. The forward …
for including quantum effects into classical molecular dynamics simulations. The forward …
Molecular collision dynamics on several electronic states
TJ Martínez, M Ben-Nun, RD Levine - The Journal of Physical …, 1997 - ACS Publications
A time-dependent quantum mechanical method for propagating the wave function on
several electronic states is discussed for the polyatomic case and illustrated by the …
several electronic states is discussed for the polyatomic case and illustrated by the …
Generalized Filinov transformation of the semiclassical initial value representation
An efficient method is proposed for the practical solution of the ''sign''problem for integrals
involved in the semiclassical initial value representation. It is based on a generalization of …
involved in the semiclassical initial value representation. It is based on a generalization of …