Concepedia
Journal of Molecular Structure THEOCHEM · 1986 · 15 citations · 7 references
Natural SciencesChemistryPhysicsPhysical ChemistryQuantum ChemistryTheoretical ChemistryAb Initio MethodsChemical BondingElectronic StructureMolecular BondingMolecular Orbital TheoryValence Bond TheoryValence Electronic StructureValence ElectronsValence Theory
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Self-Consistent Molecular-Orbital Methods. I. Use of Gaussian Expansions of Slater-Type Atomic Orbitals
Warren J. Hehre, R. F. Stewart, John A. Pople · The Journal of Chemical Physics · 1969 · 4.2K citations
Natural Sciences, Chemistry, Physics +17
Canonical Configurational Interaction Procedure
Jamie M. Foster, Samuel Francis Boys · Reviews of Modern Physics · 1960 · 1.4K citations
Computing, Computer Science, Complex Systems +4
Self-consistent-field wavefunctions for complex molecules. The approximation of partial retention of diatomic differential overlap
Thomas A. Halgren, William N. Lipscomb · The Journal of Chemical Physics · 1973 · 208 citations
Natural Sciences, Chemistry, Physics +14
Localized molecular orbitals for polyatomic molecules. I. A comparison of the Edmiston-Ruedenberg and Boys localization methods
Daniel A. Kleier, Thomas A. Halgren, John H. Hall et al. · The Journal of Chemical Physics · 1974 · 158 citations
Natural Sciences, Chemistry, Physics +13
On the quantum theory of valence and bonding from the ab intio standpoint
Mario A. Natiello, Jorge A. Medrano · Chemical Physics Letters · 1984 · 84 citations