Evaluation of alternative sum-over-states expressions for the first hyperpolarizability of push-pull π-conjugated systems

Journal of Chemical Physics

Volumn 125, Issue 2, 2006, Pages

  Champagne, Benoît ^a   Kirtman, Bernard ^b  

^a UNIVERSITY OF NAMUR   (Belgium)

^b UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO CIS AND CIS(D) SCHEMES; HYPERPOLARIZABILITY; PUSH-PULL Π-CONJUGATED SYSTEMS; SOS EXPRESSIONS;

APPROXIMATION THEORY; CORRELATION METHODS; DISPERSION (WAVES); ERROR ANALYSIS; ESTIMATION;

TENSORS;

EID: 33746217377     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2206181     Document Type: Article

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