Enforcing the linear behavior of the total energy with hybrid functionals: Implications for charge transfer, interaction energies, and the random-phase approximation

Viktor Atalla, Igor Ying Zhang, Oliver T. Hofmann, Xinguo Ren, Patrick Rinke, Matthias Scheffler

Research output: Contribution to journalArticleResearchpeer-review

Original languageEnglish
Pages (from-to)035140
Number of pages1
JournalPhysical Review / B
Volume94
Issue number3
DOIs
Publication statusPublished - 2016

Fields of Expertise

  • Advanced Materials Science

Treatment code (Nähere Zuordnung)

  • Basic - Fundamental (Grundlagenforschung)

Cite this

Enforcing the linear behavior of the total energy with hybrid functionals: Implications for charge transfer, interaction energies, and the random-phase approximation. / Atalla, Viktor; Zhang, Igor Ying; Hofmann, Oliver T.; Ren, Xinguo; Rinke, Patrick; Scheffler, Matthias.

In: Physical Review / B, Vol. 94, No. 3, 2016, p. 035140.

Research output: Contribution to journalArticleResearchpeer-review

@article{3c3b509f73bb437d99c05736456d9d51,
title = "Enforcing the linear behavior of the total energy with hybrid functionals: Implications for charge transfer, interaction energies, and the random-phase approximation",
author = "Viktor Atalla and Zhang, {Igor Ying} and Hofmann, {Oliver T.} and Xinguo Ren and Patrick Rinke and Matthias Scheffler",
year = "2016",
doi = "10.1103/PhysRevB.94.035140",
language = "English",
volume = "94",
pages = "035140",
journal = "Physical Review / B",
issn = "1098-0121",
publisher = "American Physical Society",
number = "3",

}

TY - JOUR

T1 - Enforcing the linear behavior of the total energy with hybrid functionals: Implications for charge transfer, interaction energies, and the random-phase approximation

AU - Atalla, Viktor

AU - Zhang, Igor Ying

AU - Hofmann, Oliver T.

AU - Ren, Xinguo

AU - Rinke, Patrick

AU - Scheffler, Matthias

PY - 2016

Y1 - 2016

U2 - 10.1103/PhysRevB.94.035140

DO - 10.1103/PhysRevB.94.035140

M3 - Article

VL - 94

SP - 035140

JO - Physical Review / B

JF - Physical Review / B

SN - 1098-0121

IS - 3

ER -