Basis set (chemistry)
id:
basis-set-chemistry-287-4792343
title:
Basis set (chemistry)
text:
In theoretical and computational chemistry, a basis set is a set of functions that is used to represent the electronic wave function in the Hartree–Fock method or density-functional theory in order to turn the partial differential equations of the model into algebraic equations suitable for efficient implementation on a computer. The use of basis sets is equivalent to the use of an approximate resolution of the identity: the orbitals | ψ i ⟩ are expanded within the basis set as a linear combinat
brand slug:
wiki
category slug:
encyclopedia
description:
Set of functions used to represent the electronic wave function
original url:
https://en.wikipedia.org/wiki/Basis_set_(chemistry)
date created:
date modified:
2023-12-06T15:58:54Z
main entity:
{"identifier":"Q2664086","url":"https://www.wikidata.org/entity/Q2664086"}
image:
fields total:
13
integrity:
14