State‐specific multireference perturbation theory with improved virtual orbitals: Taming the ground state of F2, Be2, and N2

Publisher: John Wiley & Sons Inc

E-ISSN: 1096-987x|36|12|907-925

ISSN: 0192-8651

Source: JOURNAL OF COMPUTATIONAL CHEMISTRY, Vol.36, Iss.12, 2015-05, pp. : 907-925

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Abstract