h−P Finite Element Approximation for Full-Potential Electronic Structure Calculations
DOI10.1007/978-3-642-41401-5_14zbMath1318.65070MaRDI QIDQ5261575
Publication date: 6 July 2015
Published in: Partial Differential Equations: Theory, Control and Approximation (Search for Journal in Brave)
Full work available at URL: https://doi.org/10.1007/978-3-642-41401-5_14
finite element method; nonlinear eigenvalue problem; density functional theory; electronic structure calculation; Hartree-Fock model; Kohn-Sham model; \(h-P\) version
35P30: Nonlinear eigenvalue problems and nonlinear spectral theory for PDEs
81Q05: Closed and approximate solutions to the Schrödinger, Dirac, Klein-Gordon and other equations of quantum mechanics
65N30: Finite element, Rayleigh-Ritz and Galerkin methods for boundary value problems involving PDEs
35Q40: PDEs in connection with quantum mechanics
65N25: Numerical methods for eigenvalue problems for boundary value problems involving PDEs
