## Abstract To obtain optimized orbitals within the MC SCF theory, the energy surface near a chosen point is approximated by a quadratic function of independent matrix elements of a small orthogonal orbital transformation. The method of a second‐order one‐electron Hamiltonian (OEH) is developed on
✦ LIBER ✦
A generalized self‐consistent‐field procedure in the improved BCS theory
✍ Scribed by Mario Piris
- Book ID
- 110385183
- Publisher
- Springer
- Year
- 1999
- Tongue
- English
- Weight
- 75 KB
- Volume
- 25
- Category
- Article
- ISSN
- 0259-9791
No coin nor oath required. For personal study only.
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A multiconfigurational paired excitation SCF (hK PE SCF) framework is described, in an attempt to generalize VeiIIrrrd and Clementl's MC SCF theory. It is shown that a MC PE wavefunction can give a set of diagonal Fock operators entering the variational Euler equations and, as a consequence, a recen