Newton-X
id:
newton-x-300-138128
title:
Newton-X
text:
Newton-X is a general program for molecular dynamics simulations beyond the Born-Oppenheimer approximation. It has been primarily used for simulations of ultrafast processes in photoexcited molecules. It has also been used for simulation of band envelops of absorption and emission spectra. Newton-X uses the trajectory surface hopping method, a semi-classical approximation in which the nuclei are treated classically by Newtonian dynamics, while the electrons are treated as a quantum subsystem via
brand slug:
wiki
category slug:
encyclopedia
description:
Molecular dynamics simulation software
original url:
https://en.wikipedia.org/wiki/Newton-X
date created:
date modified:
2023-08-13T12:18:22Z
main entity:
{"identifier":"Q25303712","url":"https://www.wikidata.org/entity/Q25303712"}
image:
{"content_url":"https://upload.wikimedia.org/wikipedia/commons/e/e2/Newton-X.jpg","width":316,"height":317}
fields total:
13
integrity:
15