Parallel computation of coupled-cluster hyperpolarizabilities

Journal of Chemical Physics

Volumn 130, Issue 19, 2009, Pages

  Hammond, Jeff R ^a   Kowalski, Karol ^b  

^a UNIVERSITY OF CHICAGO   (United States)

^b PACIFIC NORTHWEST NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

BASIS SETS; COUPLED CLUSTERS; DENSITY FUNCTIONAL THEORY METHODS; HYPERPOLARIZABILITIES; NONLINEAR OPTICAL STUDIES; PARA-NITRO-ANILINE; PARALLEL COMPUTATION; QUANTUM CHEMICAL; RESPONSE THEORY; SOLVENT EFFECTS; VIBRATIONAL CONTRIBUTIONS;

ACETONITRILE; DENSITY FUNCTIONAL THEORY; MOLECULAR ORBITALS; NITROGEN COMPOUNDS; SUPERCOMPUTERS;

SET THEORY;

EID: 65949115066     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3134744     Document Type: Article

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