The problem of spin contamination in UHF calculations for S = 1/2

• 1 January 1976
• journal article
• Published by Institute of Organic Chemistry & Biochemistry in Collection of Czechoslovak Chemical Communications
• Vol. 41  (4) , 960-967
• https://doi.org/10.1135/cccc19760960

Abstract

Keywords

• SPIN CONTAMINATION
• PROBLEM OF SPIN
• CONTAMINATION IN UHF CALCULATIONS