GENERALIZED MOLECULAR-ORBITAL THEORY Academic Article

abstract

• A limited multi-configuration self-consistent field (MC SCF) theory is presented, in which all the highly occupied orbitals are associated with one Fock-like operator, while the weakly occupied ones are associated with a second Fock-like operator. Results for H2 and LiH are presented as successful tests of this simple procedure. 1979.

authors

• Hall, Michael

published proceedings

• CHEMICAL PHYSICS LETTERS

author list (cited authors)

• HALL, M. B.

citation count

• 10

complete list of authors

• HALL, MB

publication date

• March 1979

publisher

• Elsevier  Publisher

keywords

• 34 Chemical Sciences
• 3406 Physical Chemistry
• 51 Physical Sciences
• 5102 Atomic, Molecular And Optical Physics

Digital Object Identifier (DOI)

• 10.1016/0009-2614(79)87150-X

start page

• 461

end page

• 464

volume

• 61

issue

• 3

URL

• http://dx.doi.org/10.1016/0009-2614(79)87150-x