xpressions are derived for matrix elements of Et he Hamiltonian operator for spin-coupled wave functions in molecular systems having an even number of electrons. Orthogonality of spatial orbitals is not assumed, and the coupling scheme can be specified at will. Relations to other methods are noted b
โฆ LIBER โฆ
Spin-Coupled Wave Functions for Atoms and Molecules
โ Scribed by J. Gerratt and W. N. Lipscomb
- Book ID
- 123648390
- Publisher
- National Academy of Sciences
- Year
- 1968
- Tongue
- English
- Weight
- 165 KB
- Volume
- 59
- Category
- Article
- ISSN
- 0027-8424
- DOI
- 10.2307/58641
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The study shows how the formalism induced by the minimum mean deviation from statistical equilibrium may be effectively applied to more complex atoms to obtain trial wave functions compatible with a shell picture of the atom. The objective is not only to recover the experimental value of the ground-