GW calculation of a carbon oxide molecule using an all-electron mixed-basis approach

Materials Transactions

Volumn 45, Issue 5, 2004, Pages 1411-1413

  Ishii, Soh ^a   Ohno, Kaoru ^b   Kawazoe, Yoshiyuki ^a  

^a TOHOKU UNIVERSITY   (Japan)

^b YOKOHAMA NATIONAL UNIVERSITY   (Japan)

Author keywords

Carbon oxide; Electron affinity; Electron correlation; First principles; GW approximation; Ionization potential

Indexed keywords

APPROXIMATION THEORY; ELECTRONS; GREEN'S FUNCTION; GROUND STATE; IONIZATION; THEOREM PROVING;

CARBON OXIDE; ELECTRON AFFINITY; ELECTRON CORRELATION; FIRST-PRINCIPLES; GW APPROXIMATION; IONIZATION POTENTIAL;

CARBON;

EID: 3342934126     PISSN: 13459678     EISSN: None     Source Type: Journal    
DOI: 10.2320/matertrans.45.1411     Document Type: Article

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