Open-Shell Self-Consistent-Field Molecular-Orbital Theory for Transition-Metal Clusters

New Developments in Molecular Orbital Theory

1951 • 5,347 citations

On the Absorption Spectra of Complex Ions. I

1954 • 1,932 citations

Self-Consistent Field Theory for Open Shells of Electronic Systems

1960 • 1,927 citations

The theory of transition-metal ions

1961 • 1,789 citations

Methods in Computational Physics

1971 • 1,354 citations

Molecular Orbitals in Chemistry Physics and Biology

1965 • 774 citations

Quelques aspects de la théorie des orbitales moléculaires

1949 • 654 citations

Advances in quantum chemistry

1976 • 465 citations

Covalency Effects in KNi<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">F</mml:mi></mml:mrow><mml:mrow><mml:mn>3</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>. III. Theoretical Studies

1963 • 339 citations

Operator methods in ligand field theory

1966 • 165 citations

Complete multi-configuration self-consistent field theory

1967 • 164 citations

Covalency in Crystal Field Theory: KNi<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">F</mml:mi></mml:mrow><mml:mrow><mml:mn>3</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>

1964 • 158 citations

Self-Consistent-Field Theory. I. General Treatment

1963 • 88 citations

Electronic Structure and Spectrum of the Ni<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:mmultiscripts><mml:mrow><mml:mi mathvariant="normal">F</mml:mi></mml:mrow><mml:mrow><mml:mn>6</mml:mn></mml:mrow><mml:mrow /><mml:mrow /><mml:mrow><mml:mo>−</mml:mo><mml:mn>4</mml:mn><mml:mn /></mml:mrow></mml:mmultiscripts></mml:mrow></mml:math>Cluster: Results of Calculations Based on Self-Consistent-Field Models

1971 • 76 citations

Covalency in Ionic Crystals: KNiF₃

1965 • 62 citations

Theory of Transition-Metal Complexes: Unrestricted Hartree-Fock Molecular-Orbital Method and Its Application to KNi<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msub><mml:mrow><mml:mi mathvariant="normal">F</mml:mi></mml:mrow><mml:mrow><mml:mn>3</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math>

1968 • 61 citations

Limited-Basis-Set Hartree-Fock Theory of Ni<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mrow><mml:msubsup><mml:mrow><mml:mi mathvariant="normal">F</mml:mi></mml:mrow><mml:mrow><mml:mn>6</mml:mn></mml:mrow><mml:mrow><mml:mn>4</mml:mn><mml:mo>−</mml:mo></mml:mrow></mml:msubsup></mml:mrow></mml:math>

1969 • 58 citations

On the Theory of the d‐Electron Covalency in Ionic Crystals

1964 • 56 citations

Self-Consistent-Field Study of the Cluster Model in Ionic Salts. I. NiF64−

1970 • 54 citations

Electron Delocalization and Spectra of Transition-Metal Fluorides

1969 • 38 citations

Molecular SCF Calculations for ScH3NH3 and TiH3F

1969 • 24 citations

Calculation of 10Dq

1969 • 24 citations

Molecular-Orbital Calculation of 10Dq in Some Transition-Metal Fluorides

1967 • 23 citations

Self-Consistent-Field Theory. IV. LCAO Approximation for Excited States

1964 • 19 citations