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Title: First-principles simulations of warm dense lithium fluoride

Authors:
;
Publication Date:
Grant/Contract Number:
SC0010517; SC0016248; AC02-05CH11231
Type:
Publisher's Accepted Manuscript
Journal Name:
Physical Review E
Additional Journal Information:
Journal Name: Physical Review E Journal Volume: 95 Journal Issue: 4; Journal ID: ISSN 2470-0045
Publisher:
American Physical Society
Sponsoring Org:
USDOE
Country of Publication:
United States
Language:
English
OSTI Identifier:
1351694

Driver, K. P., and Militzer, B.. First-principles simulations of warm dense lithium fluoride. United States: N. p., Web. doi:10.1103/PhysRevE.95.043205.
Driver, K. P., & Militzer, B.. First-principles simulations of warm dense lithium fluoride. United States. doi:10.1103/PhysRevE.95.043205.
Driver, K. P., and Militzer, B.. 2017. "First-principles simulations of warm dense lithium fluoride". United States. doi:10.1103/PhysRevE.95.043205.
@article{osti_1351694,
title = {First-principles simulations of warm dense lithium fluoride},
author = {Driver, K. P. and Militzer, B.},
abstractNote = {},
doi = {10.1103/PhysRevE.95.043205},
journal = {Physical Review E},
number = 4,
volume = 95,
place = {United States},
year = {2017},
month = {4}
}

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

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