Quantum chemical study on the electronic structure and second-order nonlinear optical properties of salen-type Schiff bases

Dyes and Pigments

Volumn 70, Issue 2, 2006, Pages 91-98

  Sheikhshoaie, Iran ^a   Fabian, Walter M F ^b  

^a SHAHID BAHONAR UNIVERSITY OF KERMAN   (Iran)

^b UNIVERSITY OF GRAZ   (Austria)

Author keywords

Ab initio quadratic response function; Electronic excitation energies; Hyperpolarizabilities; Nonlinear optics; Schiff bases; Semi empirical calculations; Time dependent density functional theory; ZINDO

Indexed keywords

CHARGE TRANSFER; ELECTRON TRANSITIONS; ELECTRONIC STRUCTURE; ISOMERS; MOLECULAR DYNAMICS; NONLINEAR OPTICS; OPTICAL PROPERTIES; PHENOLS; PROBABILITY DENSITY FUNCTION; QUANTUM THEORY;

AB INITIO QUADRATIC RESPONSE FUNCTION; ELECTRONIC EXCITATION ENERGIES; HYPERPOLARIZABILITIES; SCHIFF BASES; SEMI-EMPIRICAL CALCULATIONS; TIME-DEPENDENT DENSITY FUNCTIONAL THEORY;

AZO DYES;

MATHEMATICAL EXPRESSION;

EID: 27844605448     PISSN: 01437208     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.dyepig.2005.04.011     Document Type: Article

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