A density-functional-based tight-binding scheme for the study of silicon-oxygen compounds

Journal of Computer-Aided Materials Design

Volumn 4, Issue 1, 1997, Pages 53-62

  Kaschner, R ^a,c   Frauenheim, Th ^a   Kohler Th ^a   Seifert, G ^b  

^a CHEMNITZ UNIVERSITY OF TECHNOLOGY   (Germany)

^b DRESDEN UNIVERSITY OF TECHNOLOGY   (Germany)

^c FORSCHUNGSZENTRUM JÜLICH   (Germany)

Author keywords

Density functional based tight binding scheme; Equilibrium structure; Phonon density of states; Siloxane molecules; Quartz

Indexed keywords

EID: 2342567008     PISSN: 09281045     EISSN: None     Source Type: Journal    
DOI: 10.1023/A:1008670004347     Document Type: Article

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