Structure prediction of high-pressure phases for alkali metal sulfides

Journal of Chemical Physics

Volumn 121, Issue 5, 2004, Pages 2289-2304

  Schon J C ^a   Cancarevic Z ^a   Jansen, M ^a  

^a MAX PLANCK INSTITUT FÜR FESTKÖRPERFORSCHUNG   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

ALGORITHMS; APPROXIMATION THEORY; DATA REDUCTION; HEURISTIC METHODS; OPTIMIZATION; PARAMETER ESTIMATION; PHASE TRANSITIONS; POTASSIUM; RUBIDIUM; SULFUR COMPOUNDS;

DENSITY FUNCTIONAL THEORY (DFT); HARTREE-FOCK LEVEL; LENNARD-JONES POTENTIAL;

ALKALI METALS;

EID: 4043178974     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1766013     Document Type: Article

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