All-electron mixed-basis calculation to optimize structures of vanadium clusters

Materials Transactions

Volumn 42, Issue 3, 2001, Pages 432-434

  Bae, Y C ^a   Osanai, H ^a   Ohno, K ^a   Sluiter, M ^a   Kawazoe, Y ^a  

^a TOHOKU UNIVERSITY   (Japan)

Author keywords

Ab initio; Electronic states; Electronic structure; Micro cluster; Steepest Descent Method

Indexed keywords

ELECTRON ENERGY LEVELS; ELECTRONIC STRUCTURE; VANADIUM ALLOYS; WAVE EQUATIONS;

STEEPEST DESCENT METHOD;

TRANSITION METAL ALLOYS;

EID: 0034990026     PISSN: 13459678     EISSN: None     Source Type: Journal    
DOI: 10.2320/matertrans.42.432     Document Type: Article

References (16)