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Multireference methods

B Levine, A Durden, M Esch, F Liang, Y Shu, CAS without SCF - Why to use CASCI and where to get the orbitals, JCP 154, 090902 (2021) – doi

J Park, R Al-Saadon, M MacLeod, T Shiozaki, B Vlaisavljevich, Multireference Electron Correlation Methods: Journeys along Potential Energy Surfaces, CR 120, 5878 (2020) – doi

P Szalay, T Muller, G Gidofalvi, H Lischka, R Shepard, Multiconfiguration Self-Consistent Field and Multireference Configuration Interaction Methods and Applications, CR 112, 108 (2011) – doi

E Neuscamman, T Yanai, G Chan, A review of canonical transformation theory, IRPC 29, 231 (2010)

H Fukutome, Theory of resonating quantum fluctuations in a fermion system, PTP 80, 417 (1988)


D Zhang, D Truhlar, An Accurate Density Coherence Functional for Hybrid Multiconfiguration Density Coherence Functional Theory, JCTC 19, 6551 (2023) – doi

H Burton, Generalized nonorthogonal matrix elements: Unifying Wick's theorem and the Slater-Condon rules, JCP 154, 144109 (2021)

A A Granovsky, Extended multi-configuration quasi-degenerate perturbation theory: The new approach to multi-state multi-reference perturbation theory, JCP 134, 214113 (2011)

E Neuscamman, T Yanai, G Chan, Strongly contracted canonical transformation theory, JCP 132, 024106 (2010)

N Tomita, S Ten-no, Y Tanimura, Ab initio molecular orbital calculations by the resonating Hartree-Fock approach: superposition of non-orthogonal Slater determinants, CPL 263, 687 (1996)

N Gidopoulos, A Theophilou, Hartree-Fock equations determining the optimum set of spin orbitals for the expansion of excited states, Philos Mag B 69, 1067 (1994)