Two- and three-dimensional nonlocal density functional theory for inhomogeneous fluids. I: Algorithms and parallelization

DOI10.1006/jcph.2000.6454zbMath0979.76061OpenAlexW1652118994MaRDI QIDQ1976843

Andrew G. Salinger, Laura J. Douglas Frink

Publication date: 23 November 2000

Published in: Journal of Computational Physics (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1006/jcph.2000.6454

zbMATH Keywords

parallelizationmolecular theoryinhomogeneous fluidsnonlocal density functional theory

Mathematics Subject Classification ID

Related Items (5)

A local approximation of fundamental measure theory incorporated into three dimensional Poisson-Nernst-Planck equations to account for hard sphere repulsion among ions ⋮ Modelling gas mixture adsorption in active carbons ⋮ Pseudospectral methods for density functional theory in bounded and unbounded domains ⋮ A new efficient method for density functional theory calculations of inhomogeneous fluids. ⋮ Two- and three-dimensional nonlocal density functional theory for inhomogeneous fluids. II: Solvated polymers as a benchmark problem

Uses Software

• AztecOO
• Aztec

Cites Work

• Two- and three-dimensional nonlocal density functional theory for inhomogeneous fluids. II: Solvated polymers as a benchmark problem

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