Path integral molecular dynamics
id:
path-integral-molecular-dynamics-296-3814898
title:
Path integral molecular dynamics
text:
Path integral molecular dynamics (PIMD) is a method of incorporating quantum mechanics into molecular dynamics simulations using Feynman path integrals. In PIMD, one uses the Born–Oppenheimer approximation to separate the wavefunction into a nuclear part and an electronic part. The nuclei are treated quantum mechanically by mapping each quantum nucleus onto a classical system of several fictitious particles connected by springs governed by an effective Hamiltonian, which is derived from Feynman'
brand slug:
wiki
category slug:
encyclopedia
description:
Molecular dynamics simulations augmented with quantum mechanics
original url:
https://en.wikipedia.org/wiki/Path_integral_molecular_dynamics
date created:
date modified:
2022-10-31T01:47:21Z
main entity:
{"identifier":"Q7144652","url":"https://www.wikidata.org/entity/Q7144652"}
image:
fields total:
13
integrity:
14