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Title: High-Precision Shock Wave Measurements of Deuterium: Evaluation of Exchange-Correlation Functionals at the Molecular-to-Atomic Transition

Authors:
;
Publication Date:
Grant/Contract Number:
AC04-94AL85000
Type:
Publisher's Accepted Manuscript
Journal Name:
Physical Review Letters
Additional Journal Information:
Journal Name: Physical Review Letters Journal Volume: 118 Journal Issue: 3; Journal ID: ISSN 0031-9007
Publisher:
American Physical Society
Sponsoring Org:
USDOE
Country of Publication:
United States
Language:
English
OSTI Identifier:
1341318

Knudson, M. D., and Desjarlais, M. P.. High-Precision Shock Wave Measurements of Deuterium: Evaluation of Exchange-Correlation Functionals at the Molecular-to-Atomic Transition. United States: N. p., Web. doi:10.1103/PhysRevLett.118.035501.
Knudson, M. D., & Desjarlais, M. P.. High-Precision Shock Wave Measurements of Deuterium: Evaluation of Exchange-Correlation Functionals at the Molecular-to-Atomic Transition. United States. doi:10.1103/PhysRevLett.118.035501.
Knudson, M. D., and Desjarlais, M. P.. 2017. "High-Precision Shock Wave Measurements of Deuterium: Evaluation of Exchange-Correlation Functionals at the Molecular-to-Atomic Transition". United States. doi:10.1103/PhysRevLett.118.035501.
@article{osti_1341318,
title = {High-Precision Shock Wave Measurements of Deuterium: Evaluation of Exchange-Correlation Functionals at the Molecular-to-Atomic Transition},
author = {Knudson, M. D. and Desjarlais, M. P.},
abstractNote = {},
doi = {10.1103/PhysRevLett.118.035501},
journal = {Physical Review Letters},
number = 3,
volume = 118,
place = {United States},
year = {2017},
month = {1}
}

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

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

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