Convergence stability and estimator in orbital free electronic structure calculation on a grid at finite temperature

Journal of Computational Physics

Volumn 226, Issue 2, 2007, Pages 2063-2077

  Le Roux, S ^a   Zerah G ^a  

^a CEA DIF   (France)

Author keywords

Electronic structure; Order N method; Plasmas; Recursion

Indexed keywords

DENSITY FUNCTIONAL THEORY; DENSITY OF GASES; ELECTRON GAS; ELECTRONS; PLASMA STABILITY;

CONVERGENCE PROPERTIES; DENSITY-FUNCTIONAL-THEORY; DIAGONAL ELEMENTS; ELECTRONIC CHARGE DENSITY; ELECTRONIC STRUCTURE CALCULATIONS; ELECTRONIC.STRUCTURE; FINITE TEMPERATURES; ORBITALS; ORDER N METHOD; RECURSIONS;

ELECTRONIC STRUCTURE;

EID: 34548663883     PISSN: 00219991     EISSN: 10902716     Source Type: Journal    
DOI: 10.1016/j.jcp.2007.06.022     Document Type: Article

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