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Perspectives of APSG‐based multireference perturbation theories
Author(s) -
Jeszenszki Péter,
Nagy Péter R.,
Zoboki Tamás,
Szabados Ágnes,
Surján Péter R.
Publication year - 2014
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.24634
Subject(s) - multireference configuration interaction , perturbation (astronomy) , perturbation theory (quantum mechanics) , wave function , computational chemistry , field (mathematics) , physics , chemistry , theoretical physics , quantum mechanics , density functional theory , mathematics , basis set , pure mathematics
Applicability of antisymmetrized product of strongly orthogonal geminals type wave functions, serving reference states for multireference many‐body perturbation theories, is discussed. Emerging recent interest in this field indicates a promising future of this approach. © 2014 Wiley Periodicals, Inc.