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Title: Dependence of the structure and dynamics of liquid silicon on the choice of density functional approximation

Authors:
; ;
Publication Date:
Grant/Contract Number:
SC0012575
Type:
Publisher's Accepted Manuscript
Journal Name:
Physical Review B
Additional Journal Information:
Journal Name: Physical Review B Journal Volume: 96 Journal Issue: 2; Journal ID: ISSN 2469-9950
Publisher:
American Physical Society
Sponsoring Org:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Country of Publication:
United States
Language:
English
OSTI Identifier:
1371952

Remsing, Richard C., Klein, Michael L., and Sun, Jianwei. Dependence of the structure and dynamics of liquid silicon on the choice of density functional approximation. United States: N. p., Web. doi:10.1103/PhysRevB.96.024203.
Remsing, Richard C., Klein, Michael L., & Sun, Jianwei. Dependence of the structure and dynamics of liquid silicon on the choice of density functional approximation. United States. doi:10.1103/PhysRevB.96.024203.
Remsing, Richard C., Klein, Michael L., and Sun, Jianwei. 2017. "Dependence of the structure and dynamics of liquid silicon on the choice of density functional approximation". United States. doi:10.1103/PhysRevB.96.024203.
@article{osti_1371952,
title = {Dependence of the structure and dynamics of liquid silicon on the choice of density functional approximation},
author = {Remsing, Richard C. and Klein, Michael L. and Sun, Jianwei},
abstractNote = {},
doi = {10.1103/PhysRevB.96.024203},
journal = {Physical Review B},
number = 2,
volume = 96,
place = {United States},
year = {2017},
month = {7}
}

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

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