Local ab initio methods for calculating optical bandgaps in periodic systems. II. Periodic density fitted local configuration interaction singles method for solids

Journal of Chemical Physics

Volumn 137, Issue 20, 2012, Pages

  Lorenz, Marco ^a   Maschio, Lorenzo ^b   Schütz, Martin ^a   Usvyat, Denis ^a  

^a UNIVERSITY OF REGENSBURG   (Germany)

^b UNIVERSITY OF TURIN   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO METHOD; ELECTRON-HOLE INTERACTIONS; EXCITON-EXCITON INTERACTIONS; IMPROVED CONVERGENCE; INFINITE LATTICES; LOCAL CONFIGURATIONS; LOCAL DENSITY; PERIODIC BOUNDARY CONDITIONS; PERIODIC DENSITY; PRESENT STAGE; PRODUCT DENSITY; SUPER CELL; UNIT CELLS; WIDE-GAP INSULATORS;

CALCULATIONS; THREE DIMENSIONAL COMPUTER GRAPHICS;

OPTICAL BAND GAPS;

EID: 84870497624     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4767775     Document Type: Article

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