Variationally consistent Hellmann–Feynman forces in the finite element formulation of Kohn–Sham density functional theory-Reference-Cited by-同舟云学术

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Variationally consistent Hellmann–Feynman forces in the finite element formulation of Kohn–Sham density functional theory

Published:2023-01 Issue: Volume:403 Page:115674
ISSN:0045-7825
Container-title:Computer Methods in Applied Mechanics and Engineering
language:en
Short-container-title:Computer Methods in Applied Mechanics and Engineering

Author:

Karaca K.,Temizer İ.^ORCID

Funder

Türkiye Bilimsel ve Teknolojik Araştırma Kurumu

Publisher

Elsevier BV

Subject

Computer Science Applications,General Physics and Astronomy,Mechanical Engineering,Mechanics of Materials,Computational Mechanics

Reference91 articles.

1. Crystals, Defects and Microstructures: Modeling Across Scales;Phillips,2001

2. Intermolecular and Surface Forces;Israelachvili,2011

3. Numerical Simulation in Molecular Dynamics;Griebel,2007

4. Molecular Modeling and Simulation: An Interdisciplinary Guide;Schlick,2010

5. Ab Initio Molecular Dynamics;Marx,2009

Cited by 2 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Hellmann-Feynman theorem in non-Hermitian systems;Physical Review A;2024-02-20

2. Enhancement of electric polarization in ultrathin half-metallic [BaFeO₃]_m/[BaTiO₃]_n superlattices : an ab initio study;Physica Scripta;2023-09-21

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