Unrestricted Hartree–Fock
id:
unrestricted-hartree-fock-269-16571464
title:
Unrestricted Hartree–Fock
text:
Unrestricted Hartree–Fock (UHF) theory is the most common molecular orbital method for open shell molecules where the number of electrons of each spin are not equal. While restricted Hartree–Fock theory uses a single molecular orbital twice, one multiplied by the α spin function and the other multiplied by the β spin function in the Slater determinant, unrestricted Hartree–Fock theory uses different molecular orbitals for the α and β electrons. This has been called a different orbitals for diffe
brand slug:
wiki
category slug:
encyclopedia
description:
Method for calculating open-shell systems
original url:
https://en.wikipedia.org/wiki/Unrestricted_Hartree%E2%80%93Fock
date created:
date modified:
2023-08-18T14:41:33Z
main entity:
{"identifier":"Q3333601","url":"https://www.wikidata.org/entity/Q3333601"}
image:
fields total:
13
integrity:
14