Composite wave variational method for predicting molecular electronic structure
β Scribed by Salvatore Antoci; Gianfranco Nardelli
- Publisher
- Springer
- Year
- 1974
- Tongue
- English
- Weight
- 216 KB
- Volume
- 35
- Category
- Article
- ISSN
- 1432-2234
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π SIMILAR VOLUMES
General variational theorems in which the displacement, the stress, and the strain in one case, and the displacement and the stress in another case, are given independent variations, and which include appropriate general bondary and discontinuity conditions, are developed with a view toward the appl
## Abstract The SilverstoneβStuebing variational principle for the discontinuous wave functions of oneβelectron systems is generalized for manyβelectron systems. The variational functional of energy takes real or complex value. The condition that it is real is given. Using the generalized variation
## Abstract Using the variational method advanced by McCavert and Rudge, we obtain the independent particle model variational principle for loge localized discontinuous wave functions. The transformation of the variational expressions into matrix form when the loge localized discontinuous orbitals