Dynamic properties of disordered phases of carbon studied by an empirical potential: Stringent tests toward hybrid approach with the density-functional theory

Journal of the Physical Society of Japan

Volumn 72, Issue 4, 2003, Pages 822-828

  Harada, Akiko ^a   Shimojo, Fuyuki ^a,b   Hoshino, Kozo ^a  

^a HIROSHIMA UNIVERSITY   (Japan)

^b KUMAMOTO UNIVERSITY   (Japan)

Author keywords

Amorphous; Carbon; Density functional theory; Dynamic properties; Environment dependent potential; Hybrid approach; Liquid; Pseudopotential; Simulation

Indexed keywords

CARBON; GRAPHITE;

AB INITIO CALCULATION; ARTICLE; ATOM; CORRELATION FUNCTION; DENSITY; DENSITY FUNCTIONAL THEORY; HEAT TRANSFER; LIQUID; MOLECULAR DYNAMICS; PHYSICAL PHASE; SIMULATION;

EID: 0037985631     PISSN: 00319015     EISSN: None     Source Type: Journal    
DOI: 10.1143/JPSJ.72.822     Document Type: Article

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