Two- and Three-Dimensional Nonlocal Density Functional Theory for Inhomogeneous Fluids: I. Algorithms and Parallelization

Journal of Computational Physics

Volumn 159, Issue 2, 2000, Pages 407-424

  Douglas Frink, Laura J ^a   Salinger, Andrew G ^a  

^a SANDIA NATIONAL LABORATORIES   (United States)

Author keywords

Density functional theory; Finite element; Inhomogeneous fluids; Molecular theory; Parallelization; Solvation

Indexed keywords

COMPUTATION THEORY; CORROSION; FINITE ELEMENT METHOD; FREE ENERGY; GEOMETRY; INTEGRAL EQUATIONS; POROUS MATERIALS; SOLS; SOLVATION; SUSPENSIONS (FLUIDS); WETTING; ZEOLITES;

DENSITY DISTRIBUTIONS; DENSITY-FUNCTIONAL-THEORY; FINITE ELEMENT; INHOMOGENEITIES; INHOMOGENEOUS FLUIDS; MOLECULAR THEORY; NEAR SURFACES; NON-LOCAL DENSITY FUNCTIONAL THEORIES; PARALLELIZATIONS; PHYSICAL PHENOMENA;

DENSITY FUNCTIONAL THEORY;

EID: 0012358084     PISSN: 00219991     EISSN: None     Source Type: Journal    
DOI: 10.1006/jcph.2000.6454     Document Type: Article

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