When does the non-variational nature of second-order Møller-Plesset energies manifest itself? All-electron correlation energies for open-shell atoms from K to Br

Journal of Chemical Physics

Volumn 136, Issue 5, 2012, Pages

  McCarthy, Shane P ^a   Thakkar, Ajit J ^a  

^a UNIVERSITY OF NEW BRUNSWICK   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

BASIS SETS; CLOSED SHELL ATOMS; COMPLETE BASIS SET LIMIT; CORRELATION ENERGY; COUPLED-CLUSTER CALCULATIONS; DENSITY FUNCTIONALS; HIGHER ORDER CORRELATION; OPEN SHELL ATOMS; PERTURBATION THEORY; SECOND ORDERS; VALENCE SHELLS;

GALLIUM; SHELLS (STRUCTURES);

ATOMS;

EID: 84856724797     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3679969     Document Type: Article

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