𝔖 Bobbio Scriptorium
✦   LIBER   ✦

Convergence property of multireference many-body perturbation theory analyzed by the use of a norm of effective Hamiltonian

✍ Scribed by Haruyuki Nakano; Shigeru Obara

Publisher
Springer
Year
1993
Tongue
English
Weight
534 KB
Volume
86
Category
Article
ISSN
1432-2234

No coin nor oath required. For personal study only.

πŸ“œ SIMILAR VOLUMES

The acceleration of convergence of many-
The acceleration of convergence of many-body perturbation theory: unlinked-graph shift in MΓΈller-Plesset perturbation theory
✍ Klaus Dietz; Christoph Schmidt; Markus Warken; Bernd A. Hess πŸ“‚ Article πŸ“… 1993 πŸ› Elsevier Science 🌐 English βš– 474 KB

We recently proposed (parts I and II' of this series of publications) a new method of infinite subsummation in the Mlrller-Plesset perturbation series with the objective of "effecting wnvergenee of otherwise divergent series". In the present work we undertake to study the importance of a shift of un

Test of transferability in the exact eff
Test of transferability in the exact effective valence shell Hamiltonian of quasi-degenerate many-body perturbation theory: O2+ calculation from O2 effective Hamiltonian
✍ John J. Oleksik; Toshikazu Takada; Karl F. Freed πŸ“‚ Article πŸ“… 1985 πŸ› Elsevier Science 🌐 English βš– 376 KB

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