An Adaptive Planewave Method for Electronic Structure Calculations
DOI10.1137/21M1396241zbMath1487.65175arXiv2012.14806OpenAlexW4297778700MaRDI QIDQ5865252
Jun Fang, Xingyu Gao, Huajie Chen, Beilei Liu, Geneviève Dusson
Publication date: 13 June 2022
Published in: Multiscale Modeling & Simulation (Search for Journal in Brave)
Full work available at URL: https://arxiv.org/abs/2012.14806
adaptive algorithmerror estimateelectronic structure calculationenergy cut-offplanewave methodprojector augmented wave method
Spectral, collocation and related methods for boundary value problems involving PDEs (65N35) Error bounds for boundary value problems involving PDEs (65N15) PDEs in connection with quantum mechanics (35Q40) Numerical methods for eigenvalue problems for boundary value problems involving PDEs (65N25)
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