Variational polaron self-interaction-corrected total-energy functional for charge excitations in insulators-Reference-Cited by-同舟云学术

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Variational polaron self-interaction-corrected total-energy functional for charge excitations in insulators

Published:2015-08-10 Issue:7 Volume:92 Page:
ISSN:1098-0121
Container-title:Physical Review B
language:en
Short-container-title:Phys. Rev. B

Author:

Sadigh Babak,Erhart Paul,Åberg Daniel

Funder

U.S. Department of Energy

Knut och Alice Wallenbergs Stiftelse

National Nuclear Security Administration

Publisher

American Physical Society (APS)

Subject

Condensed Matter Physics,Electronic, Optical and Magnetic Materials

Link

http://harvest.aps.org/v2/journals/articles/10.1103/PhysRevB.92.075202/fulltext

Reference54 articles.

1. Ab initiostudy of the migration of small polarons in olivineLixFePO4and their association with lithium ions and vacancies

2. The self-trapped exciton

3. Modeling charge self-trapping in wide-gap dielectrics: Localization problem in local density functionals

4. Rationale for mixing exact exchange with density functional approximations

5. Hybrid functionals based on a screened Coulomb potential

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1. A momentum-resolved view of polaron formation in materials;npj Computational Materials;2024-08-13

2. Nonempirical semilocal density functionals for correcting the self-interaction of polaronic states;Journal of Applied Physics;2024-04-04

3. Optical signatures of defects in BiFeO3;Physical Review Materials;2023-10-10

4. Dependence of polaron migration barriers on the fraction of Fock exchange in hybrid functionals: A systematic study of Vk centers in alkali halides;Physical Review B;2023-07-13

5. Fractional-Electron and Transition-Potential Methods for Core-to-Valence Excitation Energies Using Density Functional Theory;Journal of Chemical Theory and Computation;2023-06-13

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