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International Journal of Quantum Chemistry

Volumn 113, Issue 3, 2013, Pages 230-238

Unitary perturbation theory applied to multiconfigurational reference functions

(2) Nagy, Péter R a Szabados, Ágnes a

a EÖTVÖS LORÁND UNIVERSITY (Hungary)

Author keywords

intruder state problem; Jacobi rotation; multireference function; perturbation theory; unitary wave operator

Indexed keywords

EIGENVALUE EQUATIONS; INTRUDER STATE; MULTI REFERENCE; PARAMETRIZATIONS; PERTURBATION THEORY; REFERENCE FUNCTIONS; REFERENCE STATE; SINGLET-TRIPLET SPLITTING; SIZE-CONSISTENCY; SIZE-CONSISTENCY VIOLATION; WATER DIMERS; WATER MOLECULE; WAVE OPERATORS;

DIMERS; EIGENVALUES AND EIGENFUNCTIONS; MOLECULES; SCANDIUM;

HAMILTONIANS;

EID: 84872976319 PISSN: 00207608 EISSN: 1097461X Source Type: Journal
DOI: 10.1002/qua.24103 Document Type: Conference Paper

Times cited : (8)

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