Ab initio quantum chemistry methods
id:
ab-initio-quantum-chemistry-methods-184-10194095
title:
Ab initio quantum chemistry methods
text:
Ab initio quantum chemistry methods are computational chemistry methods based on quantum chemistry. The term ab initio was first used in quantum chemistry by Robert Parr and coworkers, including David Craig in a semiempirical study on the excited states of benzene. The background is described by Parr. Ab initio means "from first principles" or "from the beginning", implying that the only inputs into an ab initio calculation are physical constants. Ab initio quantum chemistry methods attempt to s
brand slug:
wiki
category slug:
encyclopedia
description:
Category of computational quantum chemistry technique
original url:
https://en.wikipedia.org/wiki/Ab_initio_quantum_chemistry_methods
date created:
2006-04-09T10:12:53Z
date modified:
2024-09-07T08:10:31Z
main entity:
{"identifier":"Q547605","url":"https://www.wikidata.org/entity/Q547605"}
image:
fields total:
13
integrity:
15