Roothaan equations
id:
roothaan-equations-318-1580222
title:
Roothaan equations
text:
The Roothaan equations are a representation of the Hartree–Fock equation in a non orthonormal basis set which can be of Gaussian-type or Slater-type. It applies to closed-shell molecules or atoms where all molecular orbitals or atomic orbitals, respectively, are doubly occupied. This is generally called Restricted Hartree–Fock theory. The method was developed independently by Clemens C. J. Roothaan and George G. Hall in 1951, and is thus sometimes called the Roothaan-Hall equations. The Roothaan
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https://en.wikipedia.org/wiki/Roothaan_equations
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date modified:
2022-07-15T21:41:14Z
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{"identifier":"Q666988","url":"https://www.wikidata.org/entity/Q666988"}
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