skip to main content
DOE PAGES title logo U.S. Department of Energy
Office of Scientific and Technical Information

This content will become publicly available on June 27, 2020

Title: Comparing time-dependent density functional theory with many-body perturbation theory for semiconductors: Screened range-separated hybrids and the G W plus Bethe-Salpeter approach

Authors:
; ; ; ; ; ; ; ;
Publication Date:
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
1546423
Grant/Contract Number:  
AC02-05CH11231
Resource Type:
Publisher's Accepted Manuscript
Journal Name:
Physical Review Materials
Additional Journal Information:
Journal Name: Physical Review Materials Journal Volume: 3 Journal Issue: 6; Journal ID: ISSN 2475-9953
Publisher:
American Physical Society
Country of Publication:
United States
Language:
English

Citation Formats

Wing, Dahvyd, Haber, Jonah B., Noff, Roy, Barker, Bradford, Egger, David A., Ramasubramaniam, Ashwin, Louie, Steven G., Neaton, Jeffrey B., and Kronik, Leeor. Comparing time-dependent density functional theory with many-body perturbation theory for semiconductors: Screened range-separated hybrids and the G W plus Bethe-Salpeter approach. United States: N. p., 2019. Web. doi:10.1103/PhysRevMaterials.3.064603.
Wing, Dahvyd, Haber, Jonah B., Noff, Roy, Barker, Bradford, Egger, David A., Ramasubramaniam, Ashwin, Louie, Steven G., Neaton, Jeffrey B., & Kronik, Leeor. Comparing time-dependent density functional theory with many-body perturbation theory for semiconductors: Screened range-separated hybrids and the G W plus Bethe-Salpeter approach. United States. doi:10.1103/PhysRevMaterials.3.064603.
Wing, Dahvyd, Haber, Jonah B., Noff, Roy, Barker, Bradford, Egger, David A., Ramasubramaniam, Ashwin, Louie, Steven G., Neaton, Jeffrey B., and Kronik, Leeor. Fri . "Comparing time-dependent density functional theory with many-body perturbation theory for semiconductors: Screened range-separated hybrids and the G W plus Bethe-Salpeter approach". United States. doi:10.1103/PhysRevMaterials.3.064603.
@article{osti_1546423,
title = {Comparing time-dependent density functional theory with many-body perturbation theory for semiconductors: Screened range-separated hybrids and the G W plus Bethe-Salpeter approach},
author = {Wing, Dahvyd and Haber, Jonah B. and Noff, Roy and Barker, Bradford and Egger, David A. and Ramasubramaniam, Ashwin and Louie, Steven G. and Neaton, Jeffrey B. and Kronik, Leeor},
abstractNote = {},
doi = {10.1103/PhysRevMaterials.3.064603},
journal = {Physical Review Materials},
number = 6,
volume = 3,
place = {United States},
year = {2019},
month = {6}
}

Journal Article:
Free Publicly Available Full Text
This content will become publicly available on June 27, 2020
Publisher's Version of Record

Save / Share:

Works referenced in this record:

Generalized Gradient Approximation Made Simple
journal, October 1996

  • Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias
  • Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868
  • DOI: 10.1103/PhysRevLett.77.3865

QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials
journal, September 2009

  • Giannozzi, Paolo; Baroni, Stefano; Bonini, Nicola
  • Journal of Physics: Condensed Matter, Vol. 21, Issue 39, Article No. 395502
  • DOI: 10.1088/0953-8984/21/39/395502

From ultrasoft pseudopotentials to the projector augmented-wave method
journal, January 1999


Electron correlation in semiconductors and insulators: Band gaps and quasiparticle energies
journal, October 1986


Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
journal, October 1996