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Title: Semilocal exchange hole with an application to range-separated density functionals

Authors:
; ;
Publication Date:
Sponsoring Org.:
USDOE
OSTI Identifier:
1346765
Grant/Contract Number:  
FG02-09ER16053
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: 12; Journal ID: ISSN 2469-9950
Publisher:
American Physical Society
Country of Publication:
United States
Language:
English

Citation Formats

Tao, Jianmin, Bulik, Ireneusz W., and Scuseria, Gustavo E. Semilocal exchange hole with an application to range-separated density functionals. United States: N. p., 2017. Web. doi:10.1103/PhysRevB.95.125115.
Tao, Jianmin, Bulik, Ireneusz W., & Scuseria, Gustavo E. Semilocal exchange hole with an application to range-separated density functionals. United States. doi:10.1103/PhysRevB.95.125115.
Tao, Jianmin, Bulik, Ireneusz W., and Scuseria, Gustavo E. Mon . "Semilocal exchange hole with an application to range-separated density functionals". United States. doi:10.1103/PhysRevB.95.125115.
@article{osti_1346765,
title = {Semilocal exchange hole with an application to range-separated density functionals},
author = {Tao, Jianmin and Bulik, Ireneusz W. and Scuseria, Gustavo E.},
abstractNote = {},
doi = {10.1103/PhysRevB.95.125115},
journal = {Physical Review B},
number = 12,
volume = 95,
place = {United States},
year = {Mon Mar 13 00:00:00 EDT 2017},
month = {Mon Mar 13 00:00:00 EDT 2017}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record at 10.1103/PhysRevB.95.125115

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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

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


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

Accurate and simple analytic representation of the electron-gas correlation energy
journal, June 1992


Rationale for mixing exact exchange with density functional approximations
journal, December 1996

  • Perdew, John P.; Ernzerhof, Matthias; Burke, Kieron
  • The Journal of Chemical Physics, Vol. 105, Issue 22, p. 9982-9985
  • DOI: 10.1063/1.472933

Ab Initio Calculation of Vibrational Absorption and Circular Dichroism Spectra Using Density Functional Force Fields
journal, November 1994

  • Stephens, P. J.; Devlin, F. J.; Chabalowski, C. F.
  • The Journal of Physical Chemistry, Vol. 98, Issue 45, p. 11623-11627
  • DOI: 10.1021/j100096a001