Local techniques for the ab initio quantum-mechanical description of the chemical properties of crystalline materials

Journal of Molecular Structure: THEOCHEM

Volumn 621, Issue 1-2, 2003, Pages 141-147

  Pisani, Cesare ^a  

^a UNIVERSITY OF TURIN   (Italy)

Author keywords

Crystal; Defect; Local correlation; Wannier function

Indexed keywords

AB INITIO CALCULATION; ACCURACY; CALCULATION; CONFERENCE PAPER; CORRELATION FUNCTION; CRYSTAL; DENSITY FUNCTIONAL THEORY; MATHEMATICAL ANALYSIS; MOLECULE; QUANTUM CHEMISTRY; QUANTUM MECHANICS; TECHNIQUE; THEORY;

EID: 0037415532     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0166-1280(02)00542-0     Document Type: Conference Paper

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