The combination of multipartitioning of the Hamiltonian with canonical Van Vleck perturbation theory leads to a Hermitian variant of quasidegenerate N-electron valence perturbation theory
Author:
Affiliation:
1. Max-Planck-Institut für Kohlenforschung, Kaiser-Wilhelm-Platz 1, 45470 Mülheim an der Ruhr, Germany
Funder
Max Planck Society
Fonds der Chemischen Industrie
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/pdf/10.1063/1.5133746
Reference72 articles.
1. A dynamic correlation dressed complete active space method: Theory, implementation, and preliminary applications
2. Intermediate Hamiltonians as a new class of effective Hamiltonians
3. The multi-state CASPT2 method
4. A quasidegenerate formulation of the second order n-electron valence state perturbation theory approach
5. Intruder state avoidance multireference Møller-Plesset perturbation theory
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