Intramolecular charge transfer in 5-phenyl-3H-1,2-dithiole-3-thione and 5-phenyl-3H-1,2-dithiole-3-one derivative molecules for quadratic nonlinear optics

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Veröffentlicht in:	Theoretica Chimica Acta 1993-12, Vol.87 (3), p.175-194
Hauptverfasser:	BOTREL, A, ILLIEN, B, RAJCZY, P, LEDOUX, I, ZYSS, J
Format:	Artikel
Sprache:	eng
Schlagworte:	Ab initio calculations Atomic and molecular physics Calculations and mathematical techniques in atomic and molecular physics (excluding electron correlation calculations) Electron correlation calculations for atoms and molecules Electronic structure of atoms, molecules and their ions: theory Exact sciences and technology Physics Semi-empirical and empirical calculations (differential overlap, hückel, ppp methods, etc.) Statistical model calculations (including Thomas-Fermi and Thomas-Fermi-Dirac models)
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