Orbital-optimized opposite-spin scaled second-order correlation: An economical method to improve the description of open-shell molecules

Journal of Chemical Physics

Volumn 126, Issue 16, 2007, Pages

  Lochan, Rohini C ^a   Head Gordon, Martin ^a  

^a NONE

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATION THEORY; MOLECULAR STRUCTURE; OPTIMIZATION; PROBLEM SOLVING; QUANTUM THEORY;

BRUECKNER ORBITALS; HARTREE-FOCK ORBITALS; OPEN-SHELL MOLECULES; SPIN CONTAMINATION;

CORRELATION METHODS;

EID: 34247570002     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2718952     Document Type: Article

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