A variational method for second-order properties in atoms and molecules
โ Scribed by G. L. Bendazzoli; S. Evangelisti; G. Fano; F. Ortolani
- Book ID
- 112840834
- Publisher
- Springer-Verlag,Italian Physical Society
- Year
- 1980
- Weight
- 288 KB
- Volume
- 55
- Category
- Article
- ISSN
- 0369-3554
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๐ SIMILAR VOLUMES
## Abstract A new method is presented for the variational calculation of a set of vectors under the condition that the metric of the vectors remains unchanged through the process of variation. Application of this method to typical measures (energy, overlap, distance, etc.) in quantum chemistry give
The solution to an optimum control problem is often determined by ful$lling necessary conditions for the optimality. It usually amounts to solving a two-point-boundary-value problem. Most computational schemes used for the solution are based on the first-order variation of performance index (PI). In