Generalized-molecular-orbital theory: Simple multiconfiguration self-consistent-field method

• 1 November 1978
• journal article
• research article
• Published by Wiley in International Journal of Quantum Chemistry
• Vol. 14  (5) , 613-621
• https://doi.org/10.1002/qua.560140508

Abstract

Keywords

• OPTIMIZED
• BUILD
• MCSCF
• MOLECULAR ORBITAL
• MULTICONFIGURATION
• FOCK
• OCCUPATION
• CHROMIUM