Communication: An efficient analytic gradient theory for approximate spin projection methods

Journal of Chemical Physics

Volumn 138, Issue 10, 2013, Pages

  Hratchian, Hrant P ^a  

^a GAUSSIAN INC   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

APPROXIMATE PROJECTION METHOD; BROKEN SYMMETRY; GRADIENT THEORY; OPEN-SHELL SYSTEMS; RESPONSE EQUATIONS; SPIN CONTAMINATION; SPIN PROJECTION METHOD; SPIN-POLARIZED;

DENSITY FUNCTIONAL THEORY; ELECTRONIC STRUCTURE; MOLECULAR ORBITALS;

COMMUNICATION;

EID: 84875138292     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4795429     Document Type: Article

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