A new real-space algorithm for realistic density functional calculations

European Physical Journal D

Volumn 43, Issue 1-3, 2007, Pages 173-176

  Krotscheck, E ^a   Hernandez E R ^b   Janecek, S ^a   Kaczmarski, M S ^b,c   Wahl, R ^a  

^a JOHANNES KEPLER UNIVERSITY LINZ   (Austria)

^b INSTITUT DE CIÈNCIA DE MATERIALS DE BARCELONA ICMAB CSIC   (Spain)

^c UNIVERSITY OF SILESIA   (Poland)

Author keywords

[No Author keywords available]

Indexed keywords

NUMERICAL METHODS;

DENSITY-FUNCTIONAL CALCULATIONS; FOURTH-ORDER; KOHN SHAM EQUATIONS; LOCAL PSEUDOPOTENTIALS; NONLOCAL; OPERATOR SPLITTING TECHNIQUE; ORDERS OF MAGNITUDE; REAL SPACE ALGORITHMS; REALISTIC SYSTEMS; SECOND-ORDER OPERATORS;

DENSITY FUNCTIONAL THEORY;

EID: 34249688097     PISSN: 14346060     EISSN: 14346079     Source Type: Journal    
DOI: 10.1140/epjd/e2007-00078-8     Document Type: Conference Paper

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