Electronic structure and chemical bonding of TiS2 by cluster calculation

Materials Transactions, JIM

Volumn 39, Issue 7, 1998, Pages 709-713

  Kim, Yang Soo ^a   Mizuno, Masataka ^a   Tanaka, Isao ^a   Adachi, Hirohiko ^a  

^a KYOTO UNIVERSITY   (Japan)

Author keywords

Chemical bonding; Cluster calculation; Discrete variational X method; Electronic state

Indexed keywords

ATOMS; BONDING; CALCULATIONS; CHEMICAL BONDS; ELECTRONIC STRUCTURE; MATHEMATICAL MODELS; SPECTROSCOPY; VARIATIONAL TECHNIQUES;

BOND OVERLAP POPULATION; CLUSTER CALCULATION; DISCRETE VARIATIONAL METHOD; FIRST PRINCIPLES MOLECULAR ORBITAL METHOD; X RAY PHOTOEMISSION SPECTROSCOPY;

TITANIUM COMPOUNDS;

EID: 0032118554     PISSN: 09161821     EISSN: None     Source Type: Journal    
DOI: 10.2320/matertrans1989.39.709     Document Type: Article

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