Equation-of-motion coupled-cluster study on exciton states of polyethylene with periodic boundary condition

Journal of Chemical Physics

Volumn 122, Issue 22, 2005, Pages

  Katagiri, Hideki ^a  

^a NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY AIST   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

CONFIGURATION-INTERACTION SINGLES (CIS); EXCITATION ENERGIES; HARTREE-FOCK METHOD; TIME-DEPENDENT DENSITY FUNCTIONAL THEORY (TDDFT);

BINDING ENERGY; BOUNDARY CONDITIONS; CRYSTALLINE MATERIALS; EIGENVALUES AND EIGENFUNCTIONS; EQUATIONS OF MOTION; EXCITONS; HAMILTONIANS; INTEGRAL EQUATIONS; MATRIX ALGEBRA; OLIGOMERS; QUASICRYSTALS;

POLYETHYLENES;

EID: 20544471117     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1929731     Document Type: Article

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