Generalized Antisymmetrized Product Wave Functions for Atoms and Molecules
โ Scribed by Parr, Robert G.; Ellison, Frank O.; Lykos, Peter G.
- Book ID
- 127168629
- Publisher
- American Institute of Physics
- Year
- 1956
- Tongue
- English
- Weight
- 326 KB
- Volume
- 24
- Category
- Article
- ISSN
- 0021-9606
No coin nor oath required. For personal study only.
๐ SIMILAR VOLUMES
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
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-