The Molecular Orbital Theory of Chemical Valency. III. Properties of Molecular Orbitals

作者:

DOI: 10.1098/RSPA.1950.0091

关键词: Valence bond theoryAtomic physicsMolecular orbitalLinear combination of atomic orbitalsMolecular orbital theoryChemical physicsComplete active spaceChemistryLocalized molecular orbitalsBasis setSlater-type orbital

摘要: The discussion of molecular orbitals and equivalent orbitals, given in previous papers, is carried a stage further. It shown that certain properties can be evaluated using either or orbitals. On the other hand, study changes produced by ionization demonstrates have special significance energy parameters associated with them are closely related to potentials. For purpose this perturbation theory developed deal systems when disturbed from their normal states.

参考文章(2)
Jenny Eugenie Rosenthal, Group Theory and the Vibrations of Polyatomic Molecules Reviews of Modern Physics. ,vol. 8, pp. 317- 346 ,(1936) , 10.1103/REVMODPHYS.8.317
P. A. M. Dirac, Note on the Interpretation of the Density Matrix in the Many-Electron Problem Mathematical Proceedings of the Cambridge Philosophical Society. ,vol. 27, pp. 240- 243 ,(1931) , 10.1017/S0305004100010343