Full configuration interaction calculations of the second hyperpolarizabilities of the H 4 model compound: Summation-over-states analysis and interplay with diradical characters

Journal of Chemical Physics

Volumn 136, Issue 2, 2012, Pages

  Nakano, Masayoshi ^a   Minami, Takuya ^a   Fukui, Hitoshi ^a   Kishi, Ryohei ^a   Shigeta, Yasuteru ^a   Champagne, Benot ^b  

^a OSAKA UNIVERSITY   (Japan)

^b UNIVERSITY OF NAMUR   (Belgium)

Author keywords

[No Author keywords available]

Indexed keywords

CLOSED SHELLS; DIRADICALS; FULL CONFIGURATION INTERACTION; METAL ATOMS; MODEL COMPOUND; MOLECULAR DESIGN; MOLECULAR SYSTEMS; NATURAL ORBITALS; ORGANIC AGGREGATES; SECOND HYPERPOLARIZABILITIES; SUPER-MOLECULAR SYSTEMS; THIRD ORDER NONLINEAR OPTICAL PROPERTIES;

NONLINEAR OPTICS;

OPTICAL PROPERTIES;

EID: 84855953273     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3675684     Document Type: Article

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