Ab initio SCF and limited CI calculations on the d-d transitions in NiO

Electronic Population Analysis on LCAO–MO Molecular Wave Functions. I

1955 • 10,259 citations

Die Berechnung optischer und elektrostatischer Gitterpotentiale

1921 • 5,649 citations

Gaussian Basis Set for Molecular Wavefunctions Containing Third-Row Atoms

1970 • 3,336 citations

The Theory of Transition-Metal Ions

1961 • 2,398 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

Termaufspaltung in Kristallen

1929 • 1,134 citations

Optical Properties of NiO and CoO

1970 • 498 citations

Optical Properties of Nickel Oxide

1959 • 497 citations

Complete theory of Ni(II) and V(III) in cubic crystalline fields

1959 • 261 citations

Valence Strength and the Magnetism of Complex Salts

1935 • 200 citations

Ionization potentials of ferrocene and Koopmans' theorem. Anab initio LCAO-MO-SCF calculation

1972 • 156 citations

A theoretical study of the electronic structure of ferrocene and ferricinium: Application to Mössbauer isomer shifts, ionization potentials, and conformation

1976 • 113 citations

Ab InitioCalculations on 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>: Ligand-Field Effects

1972 • 80 citations

Band Structure and Electrical Conductivity of NiO

1968 • 76 citations

Hydrogen bond studies

1973 • 73 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

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

1970 • 54 citations

Extreme ultraviolet absorption and band density of NiO

1971 • 50 citations

Electroreflectance Study of NiO

1969 • 38 citations

Crystal and ligand field theory

2009 • 16 citations

Electroreflectance observation of localized and itinerant electron states in NiO

1971 • 16 citations