First principles calculations on structure, bonding, and vibrational frequencies of SiP2

Journal of Chemical Physics

Volumn 135, Issue 12, 2011, Pages

  Bachhuber, F ^a   Rothballer, J ^b   Pielnhofer, F ^b   Weihrich, R ^a,b  

^a UNIVERSITY OF REGENSBURG   (Germany)

^b UNIVERSITY OF ULM   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL BONDINGS; ELECTRON LOCALIZATION FUNCTION; ELECTRONIC STRUCTURE CALCULATIONS; FIRST-PRINCIPLES CALCULATION; FUNCTIONALS; GENERALIZED GRADIENT APPROXIMATIONS; HARTREE-FOCK METHODS; MODEL COMPOUND; MOMENTUM SPACES; PROJECTED DENSITY OF STATE; STRETCHING MODES;

CHEMICAL BONDS; ELECTRONIC STRUCTURE; HARTREE APPROXIMATION;

INTERNET PROTOCOLS;

EID: 80053513302     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3633951     Document Type: Article

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