Variational projector-augmented wave method: a full-potential approach for electronic structure calculations in solid-state physics
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Publication:2131014
DOI10.1016/j.jcp.2021.110510OpenAlexW3004075730MaRDI QIDQ2131014
Publication date: 25 April 2022
Published in: Journal of Computational Physics (Search for Journal in Brave)
Full work available at URL: https://arxiv.org/abs/2002.00512
Spectral theory and eigenvalue problems for partial differential equations (35Pxx) Numerical methods for partial differential equations, boundary value problems (65Nxx) General mathematical topics and methods in quantum theory (81Qxx)
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Cites Work
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- Existence of a type of optimal norm-conserving pseudopotentials for Kohn-Sham models
- Pseudo-differential operators, singularities, applications
- Proof of the ionization conjecture in a reduced Hartree-Fock model
- On some periodic Hartree-type models for crystals
- A discontinuous Galerkin scheme for full-potential electronic structure calculations
- Variational projector augmented-wave method: theoretical analysis and preliminary numerical results
- Variational projector augmented-wave method
- A mathematical perspective on density functional perturbation theory
- Julia: A Fresh Approach to Numerical Computing
- On the eigenfunctions of many-particle systems in quantum mechanics
- Asymptotic regularity of solutions to Hartree-Fock equations with Coulomb potential
- Regularity and hp discontinuous Galerkin finite element approximation of linear elliptic eigenvalue problems with singular potentials
- Projector augmented-wave method: an analysis in a one-dimensional setting
- Numerical analysis of augmented plane wave methods for full-potential electronic structure calculations
- Analysis of periodic Schrödinger operators: Regularity and approximation of eigenfunctions
- Wave Functions in a Periodic Potential
- On the thermodynamic limit for Hartree-Fock type models
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