Adaptive localization regions for O(N) density functional theory calculations

Journal of Physics Condensed Matter

Volumn 20, Issue 29, 2008, Pages

  Fattebert, J L ^a  

^a LAWRENCE LIVERMORE NATIONAL LABORATORY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

ACETYLENE; FINITE DIFFERENCE METHOD; LIGHT METALS; MAGNESIUM; NUMERICAL ANALYSIS; POLYMERS; PROBABILITY DENSITY FUNCTION; ROCKETS;

ADAPTIVE LOCALIZATION; DENSITY FUNCTIONAL THEORY (DFT) CALCULATIONS; FINITE-DIFFERENCE DISCRETIZATION; LINEAR SCALING; MAGNESIUM OXIDE (MGO); NUMERICA L RESULTS; ORBITALS; POLY ACETYLENE; PSEUDO POTENTIALS; SPHERICAL(PIVOT);

DENSITY FUNCTIONAL THEORY;

EID: 47249144259     PISSN: 09538984     EISSN: 1361648X     Source Type: Journal    
DOI: 10.1088/0953-8984/20/29/294210     Document Type: Conference Paper

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