Existence of a type of optimal norm-conserving pseudopotentials for Kohn-Sham models

DOI10.4310/CMS.2016.v14.n5.a6zbMath1352.35135OpenAlexW2405526500MaRDI QIDQ311089

Eric Cancès, Nahia Mourad

Publication date: 28 September 2016

Published in: Communications in Mathematical Sciences (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.4310/cms.2016.v14.n5.a6

zbMATH Keywords

energy functionalHartee-Fock approximationlocal-density approximation

Mathematics Subject Classification ID

NLS equations (nonlinear Schrödinger equations) (35Q55) PDEs in connection with quantum mechanics (35Q40) Perturbation theories for operators and differential equations in quantum theory (81Q15)

Related Items (5)

Variational projector-augmented wave method: a full-potential approach for electronic structure calculations in solid-state physics ⋮ A discontinuous Galerkin scheme for full-potential electronic structure calculations ⋮ A numerical study of the extended Kohn-Sham ground states of atoms ⋮ Variational projector augmented-wave method: theoretical analysis and preliminary numerical results ⋮ Numerical methods for Kohn–Sham density functional theory

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