Reinvestigation of electronic structure and electric properties of large betaine molecules: A combined long-range-corrected DFT and coupled-cluster study

Chemical Physics Letters

Volumn 480, Issue 1-3, 2009, Pages 37-40

  Czyznikowska, Z ^a   Kurzawa, J ^a   Zalesny R ^a   Lipkowski, P ^a   Bartkowiak, W ^a  

^a WROCLAW UNIVERSITY OF TECHNOLOGY   (Poland)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO; COUPLED-CLUSTER METHODS; COUPLED-CLUSTER STUDY; ELECTRONIC EXCITED STATE; EXCITED-STATE DIPOLE MOMENT; FIRST HYPERPOLARIZABILITIES; HARTREE-FOCK APPROXIMATIONS; PHOTOPHYSICAL PROPERTIES; PLESSET PERTURBATION THEORY; SECOND ORDERS;

APPROXIMATION THEORY; DENSITY FUNCTIONAL THEORY; ELECTRIC DIPOLE MOMENTS; ELECTRONIC STRUCTURE; EXCITED STATES; PERTURBATION TECHNIQUES;

ELECTRIC PROPERTIES;

EID: 70349189360     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2009.08.056     Document Type: Article

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