Calculation of first and second static hyperpolarizabilities of one- to three-dimensional periodic compounds. Implementation in the CRYSTAL code

Journal of Chemical Physics

Volumn 129, Issue 24, 2008, Pages

  Ferrero, Mauro ^a   Ŕrat, Michel ^b   Kirtman, Bernard ^c   Dovesi, Roberto ^a  

^a UNIVERSITY OF TURIN   (Italy)

^b UNIVERSITÉ DE PAU ET DES PAYS DE L'ADOUR   (France)

^c UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTATIONAL EFFICIENCY; THREE DIMENSIONAL;

AGGREGATION STATES; BASIS SETS; BULK VALUES; COMPUTATIONAL PARAMETERS; COMPUTATIONAL SCHEMES; CUBIC CRYSTALS; GAUSSIAN; HYPERPOLARIZABILITIES; HYPERPOLARIZABILITY; INFINITE CHAINS; LIMITING CASES; LINEAR CHAINS; LOW COSTS; NUMERICAL ACCURACIES; NUMERICAL EFFICIENCIES; POLARIZABILITY TENSORS; SELF-CONSISTENT FIELDS;

TENSORS;

EID: 58149231183     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3043366     Document Type: Article

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