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RESEARCH PRODUCT
Electronic hamiltonian of diatomic molecules in the basis of coupled momenta eigenfunctions
V. Kruglevskysubject
PhysicsEigenfunctionCondensed Matter PhysicsDiatomic moleculeAtomic and Molecular Physics and Opticssymbols.namesakeQuantum mechanicssymbolsExchange matrixPhysical and Theoretical ChemistryElectronic energyHamiltonian (quantum mechanics)Linear combinationWave functionEnergy matrixdescription
A systematic procedure has been developed to construct an electronic energy matrix for diatomics in the basis of antisymmetrized products of atomic wave functions represented as linear combinations of coupled momenta eigenfunctions. The exchange matrix element is expanded in powers of electronic interchange between atoms. General expressions of many-electron angular coefficients have been obtained for all types of products of one- and two-electron and overlap integrals in energy matrix elements. © 1992 John Wiley & Sons, Inc.
| year | journal | country | edition | language |
|---|---|---|---|---|
| 1992-09-30 | International Journal of Quantum Chemistry |