Generalized molecular orbital theory
Academic Article
-
- Overview
-
- Identity
-
- Additional Document Info
-
- View All
-
Overview
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.
published proceedings
author list (cited authors)
citation count
complete list of authors
publication date
publisher
published in
Identity
Digital Object Identifier (DOI)
Additional Document Info
start page
end page
volume
issue