Improving half-projected spin-contaminated wave functions by multi-configuration perturbation theory-Reference-Cited by-同舟云学术

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Improving half-projected spin-contaminated wave functions by multi-configuration perturbation theory

Published:2021-06-21 Issue:23 Volume:154 Page:234110
ISSN:0021-9606
Container-title:The Journal of Chemical Physics
language:en
Short-container-title:J. Chem. Phys.

Author:

Mihálka Zsuzsanna É.¹^ORCID,Szabados Ágnes²^ORCID,Surján Péter R.²^ORCID

Affiliation:

1. Laboratory of Theoretical Chemistry, Institute of Chemistry, Faculty of Science, and George Hevesy Doctoral School of Chemistry, ELTE Eötvös Loránd University, H-1518 Budapest 112, P.O. Box 32, Budapest, Hungary

2. Laboratory of Theoretical Chemistry, Institute of Chemistry, Faculty of Science, ELTE Eötvös Loránd University, H-1518 Budapest 112, P.O. Box 32, Budapest, Hungary

Funder

Hungarian Ministry of Human Capacities

Hungarian Ministry of Innovation and Technology

Publisher

AIP Publishing

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

https://aip.scitation.org/doi/pdf/10.1063/5.0053727

Reference56 articles.

1. Test of a new multi-reference Møller-Plesset perturbation theory

2. New time-independent perturbation theory for the multireference problem

3. A size-extensive state-specific multi-reference many-body approach using incomplete model spaces

4. Quasidegenerate perturbation theory with multiconfigurational self‐consistent‐field reference functions

5. Hylleraas variational perturbation theory: Application to correlation problems in molecular systems

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