Localized Orbitals in Polyatomic Systems

New Developments in Molecular Orbital Theory

1951 • 5,347 citations

Zur Quantentheorie der Molekeln

1927 • 4,387 citations

Molecular Orbitals in Chemistry Physics and Biology

1965 • 774 citations

Self-Consistent-Field Wave Functions for Hole States of Some Ne-Like and Ar-Like Ions

1965 • 699 citations

Outer-Shell Overlap Integrals as a Function of Distance for Halogen—Halogen, Halogen—Alkali, and Alkali—Alkali Ions in the Alkali Halide Lattices

1965 • 327 citations

Self-Consistent Pseudopotentials and Ultralocalized Functions for Energy Bands

1968 • 252 citations

On the Solution of the Hartree-Fock Equation in Terms of Localized Orbitals

1961 • 248 citations

Sigma molecular orbital theory

1970 • 198 citations

Analytic Hartree-Fock Wave Functions for the<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mn>3</mml:mn><mml:mi>p</mml:mi></mml:math>-Shell Atoms

1961 • 192 citations

Orbital Theories of Electronic Structure

1962 • 173 citations

Approximate Methods in the Quantum Theory of Many-Fermion Systems

1961 • 125 citations

Application of the Orthogonalized-Plane-Wave Method to Lithium Chloride, Sodium Chloride, and Potassium Chloride

1968 • 93 citations

Soft X-Ray Spectra of the Lithium Halides and Their Interpretation

1970 • 89 citations

Electronic Energy Bands for Rubidium Chloride and the Face‐Centered Cubic Alkali Bromides

1968 • 57 citations

Hartree-Fock energy bands in LiCl

1970 • 56 citations

Restricted and unrestricted hartree-fock calculations for atomic lithium

1960 • 51 citations

Self-Consistent Local Orbitals for Lithium Halide Crystals

1970 • 51 citations

ENDOR, the F‐Center Ground State, and Conduction Bands in Alkali Halide Crystals

1970 • 19 citations