作者:
关键词: Valence bond theory 、 Atomic physics 、 Molecular orbital 、 Linear combination of atomic orbitals 、 Molecular orbital theory 、 Chemical physics 、 Complete active space 、 Chemistry 、 Localized molecular orbitals 、 Basis set 、 Slater-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.