Virtual space reduction in quasi-particle electron propagator calculations: Applications to polycyclic aromatic hydrocarbons

International Journal of Quantum Chemistry

Volumn 108, Issue 15, 2008, Pages 2862-2869

  Dolgounitcheva, O ^a   Flores Moreno, R ^a,b   Zakrzewski, V G ^a   Ortiz, J V ^a  

^a AUBURN UNIVERSITY   (United States)

^b UNIVERSITY OF GUANAJUATO   (Mexico)

Author keywords

Electron propagator calculations; Ionization energies; Polycyclic aromatic hydrocarbons; Virtual orbital space

Indexed keywords

ELECTRON DENSITIES; ELECTRON PROPAGATOR CALCULATIONS; ELECTRON PROPAGATORS; IONIZATION ENERGIES; NAPHTHACENE; PENTACENE; TRANSITION ENERGIES; VIRTUAL ORBITAL SPACE; VIRTUAL ORBITALS; VIRTUAL SPACES;

ANTHRACENE; AROMATIC COMPOUNDS; ELECTRONS; HYDROCARBONS; IONIZATION; IONIZATION POTENTIAL; NAPHTHALENE; ORGANIC COMPOUNDS; POLYCYCLIC AROMATIC HYDROCARBONS;

AROMATIC HYDROCARBONS;

EID: 55349144911     PISSN: 00207608     EISSN: 1097461X     Source Type: Journal    
DOI: 10.1002/qua.21821     Document Type: Conference Paper

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