A new efficient method for density functional theory calculations of inhomogeneous fluids.
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Publication:1408429
DOI10.1016/S0021-9991(03)00270-5zbMath1236.76080OpenAlexW2063044643MaRDI QIDQ1408429
Laura J. D. Frink, Mark P. Sears
Publication date: 15 September 2003
Published in: Journal of Computational Physics (Search for Journal in Brave)
Full work available at URL: https://doi.org/10.1016/s0021-9991(03)00270-5
Related Items (3)
A local approximation of fundamental measure theory incorporated into three dimensional Poisson-Nernst-Planck equations to account for hard sphere repulsion among ions ⋮ Повышение качества расчeта сеточных методов с помощью критериев независимой верификации решений ⋮ Pseudospectral methods for density functional theory in bounded and unbounded domains
Uses Software
Cites Work
- Two- and three-dimensional nonlocal density functional theory for inhomogeneous fluids. I: Algorithms and parallelization
- Two- and three-dimensional nonlocal density functional theory for inhomogeneous fluids. II: Solvated polymers as a benchmark problem
- GMRES: A Generalized Minimal Residual Algorithm for Solving Nonsymmetric Linear Systems
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