Pseudospectral methods for density functional theory in bounded and unbounded domains
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Publication:1685279
DOI10.1016/j.jcp.2016.12.023zbMath1380.65309arXiv1701.06182OpenAlexW2561428257MaRDI QIDQ1685279
Benjamin D. Goddard, Peter Yatsyshin, Andreas Nold, Nikos Savva, Serafim Kalliadasis
Publication date: 13 December 2017
Published in: Journal of Computational Physics (Search for Journal in Brave)
Full work available at URL: https://arxiv.org/abs/1701.06182
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Cites Work
- Unnamed Item
- A method for numerical integration on an automatic computer
- A spectral collocation method based on integrated Chebyshev polynomials for two-dimensional biharmonic boundary-value problems
- The optimization of convergence for Chebyshev polynomial methods in an unbounded domain
- A Chebyshev collocation algorithm for 2D non-Boussinesq convection
- Numerical solution of problems in unbounded regions: coordinate transforms
- A new efficient method for density functional theory calculations of inhomogeneous fluids.
- Slice sampling. (With discussions and rejoinder)
- 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
- The Overdamped Limit of Dynamic Density Functional Theory: Rigorous Results
- Equilibrium gas–liquid–solid contact angle from density-functional theory
- Nanoscale Fluid Structure of Liquid-solid-vapour Contact Lines for a Wide Range of Contact Angles
- Parallel Segregated Schur Complement Methods for Fluid Density Functional Theories
- Spectral Methods in MATLAB
- Barycentric Lagrange Interpolation
- Chebyshev Solution of Differential, Integral and Integro-Differential Equations
- Lagrangian Interpolation at the Chebyshev Points xn, cos ( /n), = 0(1)n; some Unnoted Advantages
- Rational Chebyshev spectral methods for unbounded solutions on an infinite interval using polynomial-growth special basis functions
