Improved convergence in orbital localization methods

New Developments in Molecular Orbital Theory

1951 • 5,347 citations

Localized Atomic and Molecular Orbitals

1963 • 1,526 citations

Self-Consistent Procedures for Generalized Valence Bond Wavefunctions. Applications H3, BH, H2O, C2H6, and O2

1972 • 376 citations

The molecular orbital theory of chemical valency. IV. The significance of equivalent orbitals

1950 • 192 citations

Density Localization of Atomic and Molecular Orbitals. I

1972 • 189 citations

Orbital Theories of Electronic Structure

1962 • 173 citations

Localized Molecular Orbitals

1971 • 91 citations

Localized Bonds in SCF Wavefunctions for Polyatomic Molecules. III C–H and C–C Bonds

1970 • 82 citations

Density localization of atomic and molecular orbitals

1973 • 50 citations

Localized bonds in self-consistent-field wave functions for polyatomic molecules. II. Boron hydrides

1970 • 47 citations

Density localization of atomic and molecular orbitals

1972 • 42 citations

Self-consistent field wave function and localized orbitals for 2,4-dicarbaheptoborane(7). Fractional three-center bond

1972 • 27 citations

Self-consistent field and localized orbital study of 4,5-dicarbahexaborane(8)

1972 • 26 citations

Pseudopotential Approaches to Localized Orbitals for Polyatomic Systems

1970 • 18 citations

First order scheme for energy localization

1973 • 7 citations

Convergence in orbital localization procedures

1972 • 4 citations