Approximate second order method for orbital optimization of SCF and MCSCF wavefunctions

• 13 October 1997
• journal article
• research article
• Published by Springer Nature in Theoretical Chemistry Accounts
• Vol. 97  (1-4) , 88-95
• https://doi.org/10.1007/s002140050241

Abstract

Keywords

• KEY WORDS: OPTIMIZATION OF ORBITALS
• OPEN SHELL SCF
• GVB
• MCSCF