Concepedia
Chemical Physics Letters · 1976 · 14 citations · 29 references
Natural SciencesChemistryPhysicsOrganic ChemistryPhysical ChemistryTheoretical ChemistryAb Initio MethodsDensity Functional TheoryMolecular Energy LevelsMolecular Excited StatesMolecular Orbital TheoryMolecular SymmetryTriplet States
29
Self-Consistent Field Theory for Open Shells of Electronic Systems
Clemens Roothaan · Reviews of Modern Physics · 1960 · 2K citations
Natural Sciences, Physics, Computational Physics +12
Approximate Self-Consistent Molecular Orbital Theory. III. CNDO Results for AB2 and AB3 Systems
John A. Pople, Gerald A. Segal · The Journal of Chemical Physics · 1966 · 1.9K citations
Natural Sciences, Chemistry, Physics +15
Approximate Self-Consistent Molecular Orbital Theory. I. Invariant Procedures
John A. Pople, D. P. Santry, Gerald A. Segal · The Journal of Chemical Physics · 1965 · 1.7K citations
Natural Sciences, Chemistry, Physics +13
Use of the CNDO Method in Spectroscopy. I. Benzene, Pyridine, and the Diazines
Janet E. Del Bene, H. H. Jaffé · The Journal of Chemical Physics · 1968 · 1.3K citations
Natural Sciences, Chemistry, Quantum Chemistry +16
Approximate Self-Consistent Molecular Orbital Theory. II. Calculations with Complete Neglect of Differential Overlap
John A. Pople, Gerald A. Segal · The Journal of Chemical Physics · 1965 · 1.1K citations
Natural Sciences, Chemistry, Physics +17