2012•Solid State CommunicationsRequires access

Computationally simple, analytic, closed form solution of the Coulomb self-interaction problem in Kohn–Sham density functional theory

Antonios Gonis, M. Däne, D. M. C. Nicholson, G. Malcolm Stocks

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Key concepts: Kohn–Sham equations, Density functional theory, Simple (philosophy), Coulomb, Orbital-free density functional theory, Functional derivative, Functional theory, Hybrid functional

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Computationally simple, analytic, closed form solution of the Coulomb self-interaction problem in Kohn–Sham density functional theory — Research Paper | ScholarLens