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Antisymmetric Molecular Orbitals II. Calculation of Integrals
26
Citations
5
References
1939
Year
EngineeringPhysicsHybrid Coulomb ExchangeNatural SciencesProton-coupled Electron TransferAromatic MoleculesChemical BondAtomic PhysicsCarbon IonDefinite IntegralComputational ChemistryChemistryQuantum ChemistryMolecular ChemistryAb-initio Method
The integrals which are common to the application of the method of antisymmetric molecular orbitals to unsaturated as well as to aromatic molecules are tabulated. Accordingly, all integrals are evaluated with 2pπ hydrogen-like functions. Tables are given for the Coulomb (aa; bb), exchange (ab; ab), and hybrid Coulomb exchange (ab; bb) repulsions of two electrons, and for the Coulomb and exchange attraction of a carbon ion for an electron.
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