articleTop 10% cited
Self-consistent molecular Hartree—Fock—Slater calculations II. The effect of exchange scaling in some small molecules
Chemical Physics · 1973 · Vol. 2(1) · pp. 52–59
Evert Jan Baerends✉(Vrije Universiteit Amsterdam)P. Ros(Vrije Universiteit Amsterdam)
Advanced Chemical Physics StudiesSpectroscopy and Quantum Chemical StudiesFree Radicals and AntioxidantsChemistryHartree–Fock methodMoleculeLinear combination of atomic orbitalsAtomic physicsScalingHartreeIonization energyBinding energyIonization
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406
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References
Optimization of the Statistical Exchange Parameter<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi>α</mml:mi></mml:math>for the Free Atoms H through Nb
Physical review. B, Solid state · 1972 · 1,173 citations
Self-Consistent-Field<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi>X</mml:mi><mml:mi>α</mml:mi></mml:math>Cluster Method for Polyatomic Molecules and Solids
Physical review. B, Solid state · 1972 · 907 citations
Discrete Variational Method for the Energy-Band Problem with General Crystal Potentials
Physical review. B, Solid state · 1970 · 846 citations
Self-consistent molecular Hartree—Fock—Slater calculations I. The computational procedure
Chemical Physics · 1973 · 3,162 citations
Self-Consistent Equations Including Exchange and Correlation Effects
Physical Review · 1965 · 62,140 citations
A Simplification of the Hartree-Fock Method
Physical Review · 1951 · 4,497 citations
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