Study of static and dynamic first hyperpolarizabilities using time-dependent density functional quadratic response theory with local contribution and natural bond orbital analysis

Journal of Chemical Physics

Volumn 125, Issue 23, 2006, Pages

  Ye, Aijun ^a   Autschbach, Jochen ^a  

^a UNIVERSITY AT BUFFALO   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CHARGE DENSITY; HYPERPOLARIZABILITIES; NATURAL BOND ORBITAL ANALYSIS; NUMERICAL INTEGRATION;

CARBON; CHEMICAL BONDS; MOLECULAR STRUCTURE; NUMERICAL METHODS; PERTURBATION TECHNIQUES; PROBLEM SOLVING;

PROBABILITY DENSITY FUNCTION;

EID: 33845794745     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2388266     Document Type: Article

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