SCOPUS 정보 검색 플랫폼

Journal of Chemical Physics

Volumn 129, Issue 4, 2008, Pages

Applicability of hybrid density functional theory methods to calculation of molecular hyperpolarizability

(3) Suponitsky, Kyrill Yu a,b Tafur, Sergio a Masunov, Artm E a

a UNIVERSITY OF CENTRAL FLORIDA (United States)

b A N NESMEYANOV INSTITUTE OF ORGANOELEMENT COMPOUNDS (Russian Federation)

Author keywords

[No Author keywords available]

Indexed keywords

BENZENE; CORRELATION METHODS; DISCRETE FOURIER TRANSFORMS; ERROR ANALYSIS; EXPERIMENTS; FORECASTING; KETONES; MOLECULES; ORGANIC POLYMERS; PROBABILITY DENSITY FUNCTION; SET THEORY;

ABSOLUTE VALUES; BASIS SETS; CONJUGATED ORGANIC MOLECULES; CORRELATION ENERGIES; DENSITY FUNCTIONAL THEORY CALCULATIONS; DENSITY FUNCTIONALS; DIFFUSE FUNCTIONS; ERROR LESS; EXPERIMENTAL DATA; FIRST HYPERPOLARIZABILITY; GAS-PHASE; HARTREE-FOCK; HOMOLOGOUS SERIES; HYBRID DENSITY FUNCTIONAL THEORY; HYBRID METHODS; HYPERPOLARIZABILITIES; MOLECULAR DESIGNS; MOLECULAR HYPERPOLARIZABILITY; MOLECULAR PLANARITY; NLO MATERIALS; NONLINEAR OPTICAL RESPONSES; OPTO-ELECTRONIC APPLICATIONS; PLANAR GEOMETRIES; PLANARITY; PREDICTED VALUES; REFERENCE VALUES; SECOND ORDERS; SUBSTITUTED BENZENES;

DENSITY FUNCTIONAL THEORY;

EID: 49149121051 PISSN: 00219606 EISSN: None Source Type: Journal
DOI: 10.1063/1.2936121 Document Type: Article

Times cited : (161)

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