A methbd for the construction of ;h& hermitaan'tiodel hakiltonian in &a framework of the quasidegenerate Rayleigh-SchCdinpr @ertuxbation theory is kuggesterj. The approach of a model hamiltonian is bati on the assunption that ifit is ~kqmE.=d in a chosen fmitedimension~ model space it will yield eig
Calculation of effective hamiltonians using quasi-degenerate Rayleigh-Schrödinger perturbation theory (QD-RSPT)
✍ Scribed by Hegarty, Dermot; Robb, Michael A.
- Book ID
- 121854232
- Publisher
- Taylor and Francis Group
- Year
- 1979
- Tongue
- English
- Weight
- 765 KB
- Volume
- 37
- Category
- Article
- ISSN
- 0026-8976
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Elatronic states of the 0: ion are evaluated by diagonalization of the exact effective valence shell Hamiltonian Hy which has been previously calculated for 02 \_ The present calculations are then essentially complete valence shell conr?guration interaction calculations using the Same orbitals as fo