Abstract
The discussion of molecular orbitals and equivalent orbitals, given in previous papers, is carried a stage further. It is shown that certain molecular properties can be evaluated using either equivalent or molecular orbitals. On the other hand, a study of the changes produced by ionization demonstrates that molecular orbitals have a special significance and that certain energy parameters associated with them are closely related to ionization potentials. For the purpose of this discussion a perturbation theory is developed to deal with the changes produced in molecular systems when disturbed from their normal states.
Reference7 articles.
1. Proc;Dirac P. A. M.;Carrib. Phil.,1930
2. Note on the Interpretation of the Density Matrix in the Many-Electron Problem
3. Koopmans T. 1933 Physica 1 104.
4. Proc. Roy;Lennard-Jones Sir J;Soc. A,1949
5. bProc. Roy;Lennard-Jones Sir J;Soc. A,1949
Cited by
171 articles.
订阅此论文施引文献
订阅此论文施引文献,注册后可以免费订阅5篇论文的施引文献,订阅后可以查看论文全部施引文献