Theoretical investigation on the linear and nonlinear susceptibilities of urea crystal

Journal of Chemical Physics

Volumn 128, Issue 24, 2008, Pages

  Olejniczak, Małgorzata ^a,b   Pecul, Magdalena ^a   Champagne, Benòt ^b   Botek, Edith ^b  

^a UNIVERSITY OF WARSAW   (Poland)

^b UNIVERSITY OF NAMUR   (Belgium)

Author keywords

[No Author keywords available]

Indexed keywords

BINDING SITES; CALCULATIONS; CORRELATION METHODS; DENSITY FUNCTIONAL THEORY; EIGENVALUES AND EIGENFUNCTIONS; ELECTRON CORRELATIONS; ELECTRON DENSITY MEASUREMENT; FOOD ADDITIVES; FORECASTING; HYDROGEN; METABOLISM; MODAL ANALYSIS; MOLECULES; OPTICAL PROPERTIES; POWDERS; PROBABILITY DENSITY FUNCTION; REACTION KINETICS; REFRACTIVE INDEX; UREA;

(HYPER)POLARIZABILITY; AB INITIO CALCULATIONS; C -AXIS; COOPERATIVE EFFECTS; COUPLED CLUSTER (CC) METHOD; DENSITY-FUNCTIONAL (DF); ELECTRON CORRELATION CORRECTION (ECC); EXPERIMENTAL VALUES; FIRST HYPERPOLARIZABILITY; GLOBAL PERFORMANCE; LINEAR SUSCEPTIBILITIES; MACROSCOPIC QUANTITIES; NON-LINEAR RESPONSES; NONLINEAR SUSCEPTIBILITIES; SECOND ORDER NONLINEAR SUSCEPTIBILITY; SECOND ORDERS; SEMIEMPIRICAL HAMILTONIAN; SINGLE MOLECULE (SM); SMALL CLUSTERS; TIME DEPENDENT HARTREE FOCK (TDHF);

HYDROGEN BONDS;

EID: 46149121543     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2938376     Document Type: Article

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