Ionization potentials within semiempirical antisymmetrized product of strictly localized geminals approach

International Journal of Quantum Chemistry

Volumn 85, Issue 3, 2001, Pages 109-117

  Tokmachev, A M ^a   Tchougreff, A L ^a   Misurkin, I A ^a  

^a KARPOV INSTITUTE OF PHYSICAL CHEMISTRY   (Russian Federation)

Author keywords

Configuration interaction; Geminals; Ionization potentials; Local electronic structure; Semiempirical method

Indexed keywords

ELECTRONIC STRUCTURE; IONIZATION; MOLECULES; PHOTOELECTRON SPECTROSCOPY; POLYETHYLENES; POSITIVE IONS;

IONIZATION POTENTIAL; LOCALIZED GEMINAL APPROACH;

HYDROCARBONS;

EID: 0034782448     PISSN: 00207608     EISSN: None     Source Type: Journal    
DOI: 10.1002/qua.1060     Document Type: Article

References (33)

1. Thermal constants of substances