Noncollinear <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mrow><mml:mi>DFT</mml:mi><mml:mo>+</mml:mo><mml:mi>U</mml:mi></mml:mrow></mml:math> and Hubbard parameters with fully relativistic ultrasoft pseudopotentials-Reference-Cited by-同舟云学术

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Noncollinear DFT+U and Hubbard parameters with fully relativistic ultrasoft pseudopotentials

Published:2023-09-26 Issue:11 Volume:108 Page:
ISSN:2469-9950
Container-title:Physical Review B
language:en
Short-container-title:Phys. Rev. B

Author:

Binci Luca^ORCID,Marzari Nicola^ORCID

Funder

National Center of Competence in Research Materials’ Revolution: Computational Design and Discovery of Novel Materials

NCCR Catalysis

Schweizerischer Nationalfonds zur Förderung der Wissenschaftlichen Forschung

École Polytechnique Fédérale de Lausanne

Centro Svizzero di Calcolo Scientifico

Publisher

American Physical Society (APS)

Link

http://harvest.aps.org/v2/journals/articles/10.1103/PhysRevB.108.115157/fulltext

Reference66 articles.

1. Self-interaction correction to density-functional approximations for many-electron systems

2. Band theory and Mott insulators: HubbardUinstead of StonerI

3. First-principles calculations of the electronic structure and spectra of strongly correlated systems: theLDA+Umethod

4. Hubbard-corrected DFT energy functionals: The LDA+U description of correlated systems

5. Density Functional Theory in Transition-Metal Chemistry: A Self-Consistent HubbardUApproach

Cited by 4 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. Facilities and practices for linear response Hubbard parameters U and J in Abinit;Electronic Structure;2024-07-26

2. Spin-dependent interactions in orbital-density-dependent functionals: Noncollinear Koopmans spectral functionals;Physical Review Research;2024-07-18

3. Type-I antiferromagnetic Weyl semimetal InMnTi2;Physical Review Research;2024-02-02

4. High-throughput determination of Hubbard U and Hund J values for transition metal oxides via the linear response formalism;Physical Review Materials;2024-01-29

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