Software for the quantum-mechanical simulation of the properties of crystalline materials: State of the art and prospects

Journal of Molecular Structure: THEOCHEM

Volumn 463, Issue 1-2, 1999, Pages 125-137

  Pisani, C ^a  

^a UNIVERSITY OF TURIN   (Italy)

Author keywords

Ab initio; Crystals; Defects; DFT; Software

Indexed keywords

ARTICLE; COMPUTER PROGRAM; CRYSTAL; ELECTRON; QUANTUM MECHANICS; RELIABILITY; SIMULATION; THEORY;

EID: 0033597077     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0166-1280(98)00402-3     Document Type: Article

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