Noniterative density functional response approach: Application to nonlinear optical properties of p-nitroaniline and its methyl-substituted derivatives

Journal of Physical Chemistry A

Volumn 112, Issue 44, 2008, Pages 11266-11272

  Sophy, K B ^a,b   Shedge, Sapana V ^a   Pal, Sourav ^a  

^a NATIONAL CHEMICAL LABORATORY   (India)

^b NANYANG TECHNOLOGICAL UNIVERSITY   (Singapore)

Author keywords

[No Author keywords available]

Indexed keywords

CHARGE TRANSFER; ION EXCHANGE; METHOD OF MOMENTS; NITROGEN COMPOUNDS; NONLINEAR EQUATIONS; OPTICAL MATERIALS; OPTICAL PROPERTIES; ORGANIC POLYMERS;

BASIS SETS; EFFECT OF SUBSTITUTIONS; EXCHANGE CORRELATIONS; FIELD PERTURBATIONS; FIRST HYPERPOLARIZABILITY; FUNCTIONAL RESPONSES; NITROANILINE; NONITERATIVE; NONLINEAR OPTICAL PROPERTIES; OPTICAL GAPS; ORGANIC DERIVATIVES; POLARIZABILITIES; STATIC POLARIZABILITY; SUBSTITUTED DERIVATIVES;

PERTURBATION TECHNIQUES;

EID: 56349109896     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp806204q     Document Type: Article

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