Spin-Extended Hartree–Fock Functions for Atomic Boron

1 July 1968

journal article
research article
Published by AIP Publishing in The Journal of Chemical Physics

Vol. 49 (1) , 6-8
https://doi.org/10.1063/1.1669860

Abstract

A recently described method for calculating extended Hartree–Fock functions was applied to the ground state of atomic boron. The total energy was −24.5297 hartree. The calculated spin density has the correct sign, but is in poor agreement with experiment.

Keywords

This publication has 9 references indexed in Scilit:

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