Hybrid density functional theory meets quasiparticle calculations: A consistent electronic structure approach-Reference-Cited by-同舟云学术

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Hybrid density functional theory meets quasiparticle calculations: A consistent electronic structure approach

Published:2013-10-14 Issue:16 Volume:88 Page:
ISSN:1098-0121
Container-title:Physical Review B
language:en
Short-container-title:Phys. Rev. B

Author:

Atalla Viktor,Yoon Mina,Caruso Fabio,Rinke Patrick,Scheffler Matthias

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.88.165122/fulltext

Reference46 articles.

1. Why are the Interaction Energies of Charge-Transfer Complexes Challenging for DFT?

2. Evaluating the Performance of DFT Functionals in Assessing the Interaction Energy and Ground-State Charge Transfer of Donor/Acceptor Complexes: Tetrathiafulvalene−Tetracyanoquinodimethane (TTF−TCNQ) as a Model Case

3. Toward reliable density functional methods without adjustable parameters: The PBE0 model

4. Rationale for mixing exact exchange with density functional approximations

5. A new mixing of Hartree–Fock and local density‐functional theories

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