On the effect of electron correlation on the static second hyperpolarizability of conjugated oligomer chains

Journal of Chemical Physics

Volumn 135, Issue 1, 2011, Pages

  Limacher, Peter A ^a,b   Li, Qingxu ^c   Lüthi, Hans P ^a  

^a ETH ZURICH   (Switzerland)

^b MCMASTER UNIVERSITY   (Canada)

^c CHONGQING UNIVERSITY OF POSTS AND TELECOMMUNICATIONS   (China)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO CALCULATIONS; BASIS SETS; CONJUGATED OLIGOMER; COUPLED-CLUSTER METHODS; DAMPING EFFECT; EXTRAPOLATION SCHEMES; HARTREE-FOCK; HIGHER ORDER CORRELATION; MODEL COMPOUND; OLIGOMER CHAINS; POLYYNES; SECOND HYPERPOLARIZABILITIES; TRANSITION MOMENTS;

ACETYLENE; CALCULATIONS; CHAIN LENGTH; ELECTRON CORRELATIONS; ELECTRON DENSITY MEASUREMENT; ELECTRONS; OLIGOMERS; QUANTUM CHEMISTRY; UNSATURATED COMPOUNDS;

CORRELATION METHODS;

EID: 79960209911     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3603967     Document Type: Article

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