Linear and Nonlinear Optical Susceptibilities of 3-Phenylamino-4-phenyl-1, 2,4-triazole-5-thione

Journal of Physical Chemistry B

Volumn 114, Issue 5, 2010, Pages 1815-1821

  Reshak, A H ^a   Stys, D ^a   Auluck, S ^b   Kityk, I V ^c  

^a UNIVERSITY OF SOUTH BOHEMIA   (Czech Republic)

^b INDIAN INSTITUTE OF TECHNOLOGY KANPUR   (India)

^c CZESTOCHOWA UNIVERSITY OF TECHNOLOGY   (Poland)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTATIONAL GEOMETRY; HARMONIC GENERATION; NITROGEN COMPOUNDS; NONLINEAR OPTICS; OPTIMIZATION;

ABSOLUTE VALUES; COMPUTATIONAL OPTIMIZATION; EXCHANGE-CORRELATION POTENTIAL; FIRST-PRINCIPLES CALCULATION; FULL POTENTIAL LINEAR AUGMENTED PLANE WAVES; NONLINEAR OPTICAL SUSCEPTIBILITIES; OPTICAL SUSCEPTIBILITY; OPTIMIZED GEOMETRIES; REAL PART; SECOND HARMONIC GENERATION; SECOND ORDERS; STRUCTURAL DATA; UNIAXIAL DIELECTRIC; ZERO FREQUENCY;

DENSITY FUNCTIONAL THEORY;

EID: 77149146800     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp9092755     Document Type: Article

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