A generalization of the löwdin orthogonalization

On the Non-Orthogonality Problem Connected with the Use of Atomic Wave Functions in the Theory of Molecules and Crystals

1950 • 2,996 citations

A Semi-Empirical Theory of the Electronic Spectra and Electronic Structure of Complex Unsaturated Molecules. I.

1953 • 1,947 citations

Orthogonalization Procedures and the Localization of Wannier Functions

1957 • 253 citations

Self-Consistent Group Calculations on Polyatomic Molecules. I. Basic Theory with an Application to Methane

1965 • 142 citations

The valence-bond theory of molecular structure - III. Cyclo butadiene and benzene

1955 • 105 citations

Three Remarks on Molecular Orbital Theory of Complex Molecules

1960 • 95 citations

Maximal Orthogonal Orbitals

1956 • 22 citations