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Title: Screened van der Waals correction to density functional theory for solids

Authors:
; ; ; ;
Publication Date:
Grant/Contract Number:
FG02-07ER46431
Type:
Publisher's Accepted Manuscript
Journal Name:
Physical Review Materials
Additional Journal Information:
Journal Name: Physical Review Materials Journal Volume: 1 Journal Issue: 2; Journal ID: ISSN 2475-9953
Publisher:
American Physical Society
Sponsoring Org:
USDOE
Country of Publication:
United States
Language:
English
OSTI Identifier:
1372420

Tao, Jianmin, Zheng, Fan, Gebhardt, Julian, Perdew, John P., and Rappe, Andrew M.. Screened van der Waals correction to density functional theory for solids. United States: N. p., Web. doi:10.1103/PhysRevMaterials.1.020802.
Tao, Jianmin, Zheng, Fan, Gebhardt, Julian, Perdew, John P., & Rappe, Andrew M.. Screened van der Waals correction to density functional theory for solids. United States. doi:10.1103/PhysRevMaterials.1.020802.
Tao, Jianmin, Zheng, Fan, Gebhardt, Julian, Perdew, John P., and Rappe, Andrew M.. 2017. "Screened van der Waals correction to density functional theory for solids". United States. doi:10.1103/PhysRevMaterials.1.020802.
@article{osti_1372420,
title = {Screened van der Waals correction to density functional theory for solids},
author = {Tao, Jianmin and Zheng, Fan and Gebhardt, Julian and Perdew, John P. and Rappe, Andrew M.},
abstractNote = {},
doi = {10.1103/PhysRevMaterials.1.020802},
journal = {Physical Review Materials},
number = 2,
volume = 1,
place = {United States},
year = {2017},
month = {7}
}

Works referenced in this record:

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  • Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868
  • DOI: 10.1103/PhysRevLett.77.3865

Revised effective ionic radii and systematic studies of interatomic distances in halides and chalcogenides
journal, September 1976

Optical Constants of the Noble Metals
journal, December 1972

A new local density functional for main-group thermochemistry, transition metal bonding, thermochemical kinetics, and noncovalent interactions
journal, November 2006
  • Zhao, Yan; Truhlar, Donald G.
  • The Journal of Chemical Physics, Vol. 125, Issue 19, Article No. 194101
  • DOI: 10.1063/1.2370993