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Title: Rehabilitation of the Perdew-Burke-Ernzerhof generalized gradient approximation for layered materials

Authors:
;
Publication Date:
Sponsoring Org.:
USDOE
OSTI Identifier:
1344008
Grant/Contract Number:  
SC0012575; AC02-05CH11231
Resource Type:
Journal Article: Publisher's Accepted Manuscript
Journal Name:
Physical Review B
Additional Journal Information:
Journal Name: Physical Review B Journal Volume: 95 Journal Issue: 8; Journal ID: ISSN 2469-9950
Publisher:
American Physical Society
Country of Publication:
United States
Language:
English

Citation Formats

Peng, Haowei, and Perdew, John P. Rehabilitation of the Perdew-Burke-Ernzerhof generalized gradient approximation for layered materials. United States: N. p., 2017. Web. doi:10.1103/PhysRevB.95.081105.
Peng, Haowei, & Perdew, John P. Rehabilitation of the Perdew-Burke-Ernzerhof generalized gradient approximation for layered materials. United States. doi:10.1103/PhysRevB.95.081105.
Peng, Haowei, and Perdew, John P. Wed . "Rehabilitation of the Perdew-Burke-Ernzerhof generalized gradient approximation for layered materials". United States. doi:10.1103/PhysRevB.95.081105.
@article{osti_1344008,
title = {Rehabilitation of the Perdew-Burke-Ernzerhof generalized gradient approximation for layered materials},
author = {Peng, Haowei and Perdew, John P.},
abstractNote = {},
doi = {10.1103/PhysRevB.95.081105},
journal = {Physical Review B},
number = 8,
volume = 95,
place = {United States},
year = {Wed Feb 15 00:00:00 EST 2017},
month = {Wed Feb 15 00:00:00 EST 2017}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record at 10.1103/PhysRevB.95.081105

Citation Metrics:
Cited by: 1 work
Citation information provided by
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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

Projector augmented-wave method
journal, December 1994


Progress, Challenges, and Opportunities in Two-Dimensional Materials Beyond Graphene
journal, March 2013

  • Butler, Sheneve Z.; Hollen, Shawna M.; Cao, Linyou
  • ACS Nano, Vol. 7, Issue 4, p. 2898-2926
  • DOI: 10.1021/nn400280c

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


Graphene-Like Two-Dimensional Materials
journal, January 2013

  • Xu, Mingsheng; Liang, Tao; Shi, Minmin
  • Chemical Reviews, Vol. 113, Issue 5, p. 3766-3798
  • DOI: 10.1021/cr300263a

Self-Consistent Equations Including Exchange and Correlation Effects
journal, November 1965


Electric Field Effect in Atomically Thin Carbon Films
journal, October 2004


Electronics and optoelectronics of two-dimensional transition metal dichalcogenides
journal, November 2012

  • Wang, Qing Hua; Kalantar-Zadeh, Kourosh; Kis, Andras
  • Nature Nanotechnology, Vol. 7, Issue 11, p. 699-712
  • DOI: 10.1038/nnano.2012.193

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


Ab initio molecular-dynamics simulation of the liquid-metal–amorphous-semiconductor transition in germanium
journal, May 1994


The chemistry of two-dimensional layered transition metal dichalcogenide nanosheets
journal, April 2013

  • Chhowalla, Manish; Shin, Hyeon Suk; Eda, Goki
  • Nature Chemistry, Vol. 5, Issue 4, p. 263-275
  • DOI: 10.1038/nchem.1589