Equivalent Hamiltonian method in coherent solitons theory
✍ Scribed by B.S. Tošić; Lj.D. Mašković
- Publisher
- Elsevier Science
- Year
- 1994
- Tongue
- English
- Weight
- 504 KB
- Volume
- 4
- Category
- Article
- ISSN
- 0960-0779
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## Abstract For orbital optimization within the MC SCF theory a modification of the OEH method is proposed with the direction of descent determined according to the Fletcher–Reeves gradient method. The combined method developed on this basis ensures the convergence of the iterative process when the
Group theoretic methods are presented for the transformations of integrals and the evaluation of matrix elements encountered in multiconfigurational self-consistent field (MCSCF) and configuration interaction (CI) calculations. The method has the advantages of needing only to deal with a symmetry un