Mathematical Analysis and Numerical Approximations of Density Functional Theory Models for Metallic Systems-Reference-Cited by-同舟云学术

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Mathematical Analysis and Numerical Approximations of Density Functional Theory Models for Metallic Systems

Published:2023-07-12 Issue:3 Volume:21 Page:777-803
ISSN:1540-3459
Container-title:Multiscale Modeling & Simulation
language:en
Short-container-title:Multiscale Model. Simul.

Author:

Dai Xiaoying¹,de Gironcoli Stefano²,Yang Bin³,Zhou Aihui¹

Affiliation:

1. LSEC, Institute of Computational Mathematics and Scientific/Engineering Computing, Academy of Mathematics and Systems Science, Chinese Academy of Sciences, Beijing 100190, China; and School of Mathematical Sciences, University of Chinese Academy of Sciences, Beijing 100049, China.

2. Scuola Internazionale Superiore di Studi Avanzati (SISSA) and CNR-IOM DEMOCRITOS Simulation Centre, Via Bononea 265, 34146 Trieste, Italy.

3. NCMIS, Academy of Mathematics and Systems Science, Chinese Academy of Sciences, Beijing 100190, China.

Funder

National Key R&D Program of China

National Center for Mathematics and Interdisciplinary Sciences

Chinese Academy of Sciences

Horizon 2020 Framework Programme

National Natural Science Foundation of China

Publisher

Society for Industrial & Applied Mathematics (SIAM)

Subject

Computer Science Applications,General Physics and Astronomy,Ecological Modeling,Modeling and Simulation,General Chemistry

Reference42 articles.

1. Direct Minimization for Ensemble Electronic Structure Calculations

2. Perspective: Fifty years of density-functional theory in chemical physics

3. Projector augmented-wave method

4. Density Functional Methods:Theory and Applications

5. Adaptive Finite Element Approximations for Kohn--Sham Models

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