Molecular cluster approach to electronic state and chemical bonding in metallic materials

Materials Transactions, JIM

Volumn 38, Issue 6, 1997, Pages 485-502

  Adachi, Hirohiko ^a  

^a KYOTO UNIVERSITY   (Japan)

Author keywords

Chemical bonding; Cluster calculation; Discrete variational X method; Electronic state; Intermetallic compound; Interstital alloy; Substitutional alloy

Indexed keywords

ALLOYING ELEMENTS; ALLOYS; CALCULATIONS; CHEMICAL BONDS; COMPUTATIONAL METHODS; ELECTRONIC DENSITY OF STATES; INTERMETALLICS; MATHEMATICAL MODELS; METALS; NUMERICAL METHODS; VARIATIONAL TECHNIQUES;

COVALENT BONDING; DISCRETE VARIATIONAL METHOD; MODEL CLUSTER CALCULATIONS; MOLECULAR ORBITAL CALCULATIONS;

MOLECULAR DYNAMICS;

EID: 0031164489     PISSN: 09161821     EISSN: None     Source Type: Journal    
DOI: 10.2320/matertrans1989.38.485     Document Type: Review

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