On the theory of valence and bonding: A further generalization
Ab initio and semiempirical definitions of atomic valence, anisotropy, and degree of bonding between pairs of atoms have previously been applied to LCAO-MO RHF, UHF or GVB wavefunctions. It is shown that the same definitions can be applied to a CI wavefunction. Numerical examples are given as well a...
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| Autores principales: | Medrano, J.A., Reale, H.F., Bochicchio, R.C. |
|---|---|
| Formato: | JOUR |
| Acceso en línea: | http://hdl.handle.net/20.500.12110/paper_01661280_v135_nC_p117_Medrano |
| Aporte de: |
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