Accurate optical spectra through time-dependent density functional theory based on screening-dependent hybrid functionals

Alexey Tal; Peitao Liu; Georg Kresse; Alfredo Pasquarello

doi:10.1103/PhysRevResearch.2.032019

Accurate optical spectra through time-dependent density functional theory based on screening-dependent hybrid functionals

Alexey Tal (Corresponding author)
, Peitao Liu
, Georg Kresse
, Alfredo Pasquarello

Computational Materials Physics

Publications: Contribution to journal › Article › Peer Reviewed

Original language	English
Article number	032019
Number of pages	6
Journal	Physical Review Research
Volume	2
Issue number	3
DOIs	https://doi.org/10.1103/PhysRevResearch.2.032019
Publication status	Published - 20 Jul 2020

Funding

Support from the Swiss National Science Foundation is acknowledged under Grant No. 200020-172524. The calculations have been performed at the Swiss National Supercomputing Centre (CSCS) (grant under project ID s879) and at SCITAS-EPFL.

Austrian Fields of Science 2012

103015 Condensed matter
103018 Materials physics

Keywords

ELECTRON-HOLE EXCITATIONS
TEMPERATURE-DEPENDENCE
DIELECTRIC FUNCTION
GREENS-FUNCTION
BAND-GAPS
ABSORPTION
SEMICONDUCTORS
PARTICLE

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10.1103/PhysRevResearch.2.032019Licence: CC BY 4.0

Cite this

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title = "Accurate optical spectra through time-dependent density functional theory based on screening-dependent hybrid functionals",

keywords = "ELECTRON-HOLE EXCITATIONS, TEMPERATURE-DEPENDENCE, DIELECTRIC FUNCTION, GREENS-FUNCTION, BAND-GAPS, ABSORPTION, SEMICONDUCTORS, PARTICLE",

author = "Alexey Tal and Peitao Liu and Georg Kresse and Alfredo Pasquarello",

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AU - Tal, Alexey

AU - Liu, Peitao

AU - Kresse, Georg

AU - Pasquarello, Alfredo

N1 - Publisher Copyright: © 2020 authors. Published by the American Physical Society. Published by the American Physical Society under the terms of the Creative Commons Attribution 4.0 International license. Further distribution of this work must maintain attribution to the author(s) and the published article's title, journal citation, and DOI.

PY - 2020/7/20

Y1 - 2020/7/20

KW - ELECTRON-HOLE EXCITATIONS

KW - TEMPERATURE-DEPENDENCE

KW - DIELECTRIC FUNCTION

KW - GREENS-FUNCTION

KW - BAND-GAPS

KW - ABSORPTION

KW - SEMICONDUCTORS

KW - PARTICLE

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M3 - Article

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ER -

Accurate optical spectra through time-dependent density functional theory based on screening-dependent hybrid functionals

Funding

Austrian Fields of Science 2012

Keywords

Access to Document

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