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Title: Benchmark tests of a strongly constrained semilocal functional with a long-range dispersion correction

Authors:
; ; ;
Publication Date:
Sponsoring Org.:
USDOE
OSTI Identifier:
1325848
Grant/Contract Number:  
SC0010499
Resource Type:
Journal Article: Publisher's Accepted Manuscript
Journal Name:
Physical Review B
Additional Journal Information:
Journal Name: Physical Review B Journal Volume: 94 Journal Issue: 11; Journal ID: ISSN 2469-9950
Publisher:
American Physical Society
Country of Publication:
United States
Language:
English

Citation Formats

Brandenburg, J. G., Bates, J. E., Sun, J., and Perdew, J. P.. Benchmark tests of a strongly constrained semilocal functional with a long-range dispersion correction. United States: N. p., 2016. Web. doi:10.1103/PhysRevB.94.115144.
Brandenburg, J. G., Bates, J. E., Sun, J., & Perdew, J. P.. Benchmark tests of a strongly constrained semilocal functional with a long-range dispersion correction. United States. doi:10.1103/PhysRevB.94.115144.
Brandenburg, J. G., Bates, J. E., Sun, J., and Perdew, J. P.. Wed . "Benchmark tests of a strongly constrained semilocal functional with a long-range dispersion correction". United States. doi:10.1103/PhysRevB.94.115144.
@article{osti_1325848,
title = {Benchmark tests of a strongly constrained semilocal functional with a long-range dispersion correction},
author = {Brandenburg, J. G. and Bates, J. E. and Sun, J. and Perdew, J. P.},
abstractNote = {},
doi = {10.1103/PhysRevB.94.115144},
journal = {Physical Review B},
number = 11,
volume = 94,
place = {United States},
year = {Wed Sep 21 00:00:00 EDT 2016},
month = {Wed Sep 21 00:00:00 EDT 2016}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record at 10.1103/PhysRevB.94.115144

Citation Metrics:
Cited by: 12 works
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


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


Ab initiomolecular dynamics for liquid metals
journal, January 1993


Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
journal, July 1996


Benchmark database of accurate (MP2 and CCSD(T) complete basis set limit) interaction energies of small model complexes, DNA base pairs, and amino acid pairs
journal, January 2006

  • Jurečka, Petr; Šponer, Jiří; Černý, Jiří
  • Physical Chemistry Chemical Physics, Vol. 8, Issue 17, p. 1985-1993
  • DOI: 10.1039/B600027D

Balanced basis sets of split valence, triple zeta valence and quadruple zeta valence quality for H to Rn: Design and assessment of accuracy
journal, January 2005

  • Weigend, Florian; Ahlrichs, Reinhart
  • Physical Chemistry Chemical Physics, Vol. 7, Issue 18, p. 3297-3305
  • DOI: 10.1039/b508541a

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