Conjugate-gradient optimization method for orbital-free density functional calculations

Journal of Chemical Physics

Volumn 121, Issue 5, 2004, Pages 2030-2036

  Jiang, Hong ^a   Yang, Weitao ^a  

^a DUKE UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CHARGE-SLOSHING EFFECTS; CONJUGATE-GRADIENT (CG) METHOD; ORBITAL-FREE DENSITY; THOMAS-FERMI EQUATION;

APPROXIMATION THEORY; CONSTRAINT THEORY; ELECTRONS; FERMI LEVEL; FUNCTIONS; NONLINEAR EQUATIONS; PROBLEM SOLVING; SEMICONDUCTOR QUANTUM DOTS;

ATOMIC PHYSICS;

EID: 4043068419     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1768163     Document Type: Article

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