Moller-Plesset perturbation theory with two-configurational reference wavefunction
✍ Scribed by Krzysztof Wolinski
- Publisher
- Springer
- Year
- 1992
- Tongue
- English
- Weight
- 752 KB
- Volume
- 82
- Category
- Article
- ISSN
- 1432-2234
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📜 SIMILAR VOLUMES
A modified form of multi-reference second-order perturbation theory is considered. The nature of the poor convergence of + Moller-Plesset perturbation theory for systems like cyano radical or He\* , He:+, OS+ cations is analyzed. Additionally, isomerization of the formaldehyde radical cation and the
The two-component Hartree-Fock method using relativistic effective core potentials (RECP) is extended to include electron correlations by second-order Moller-Plesset perturbation theory (MPZ). The present method simultaneously treats electron correlation and all the relativistic effects in REP inclu
Moller-Plesset perturbation theory is developed to second order for a selection of Kramers-restricted Dirac-Hartree-Fock closed-and open-shell reference wavefunctions. The open-shell wavefunctions considered are limited to those with no more than two electrons in open shells, but include the case of