Optimization of a hybrid exchange-correlation functional for silicon carbides

Chemical Physics Letters

Volumn 579, Issue , 2013, Pages 58-63

  Oda, Takuji ^a   Zhang, Yanwen ^a,b   Weber, William J ^a,b  

^a University of Tennessee   (United States)

^b OAK RIDGE NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO CALCULATIONS; EXCHANGE-CORRELATION FUNCTIONALS; FUTURE APPLICATIONS; HYBRID FUNCTIONAL; HYBRID FUNCTIONALS; PHONON FREQUENCIES; SIC POLYTYPES; SILICON CARBIDES (SIC);

OPTIMIZATION;

SILICON CARBIDE;

EID: 84880332638     PISSN: 00092614     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cplett.2013.06.030     Document Type: Article

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