Surface hopping
id:
surface-hopping-252-16050981
title:
Surface hopping
text:
Surface hopping is a mixed quantum-classical technique that incorporates quantum mechanical effects into molecular dynamics simulations. Traditional molecular dynamics assume the Born-Oppenheimer approximation, where the lighter electrons adjust instantaneously to the motion of the nuclei. Though the Born-Oppenheimer approximation is applicable to a wide range of problems, there are several applications, such as photoexcited dynamics, electron transfer, and surface chemistry where this approxima
brand slug:
wiki
category slug:
encyclopedia
description:
Molecular dynamics simulation technique
original url:
https://en.wikipedia.org/wiki/Surface_hopping
date created:
date modified:
2024-03-20T03:32:58Z
main entity:
{"identifier":"Q17155550","url":"https://www.wikidata.org/entity/Q17155550"}
image:
fields total:
13
integrity:
14