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Title: Prediction of novel high-pressure H 2 O -NaCl and carbon oxide compounds with a symmetry-driven structure search algorithm

Authors:
; ;
Publication Date:
Sponsoring Org.:
USDOE
OSTI Identifier:
1482281
Grant/Contract Number:  
SC0010517
Resource Type:
Journal Article: Publisher's Accepted Manuscript
Journal Name:
Physical Review B
Additional Journal Information:
Journal Name: Physical Review B Journal Volume: 98 Journal Issue: 17; Journal ID: ISSN 2469-9950
Publisher:
American Physical Society
Country of Publication:
United States
Language:
English

Citation Formats

Domingos, Rustin, Shaik, Kareemullah M., and Militzer, Burkhard. Prediction of novel high-pressure H 2 O -NaCl and carbon oxide compounds with a symmetry-driven structure search algorithm. United States: N. p., 2018. Web. doi:10.1103/PhysRevB.98.174107.
Domingos, Rustin, Shaik, Kareemullah M., & Militzer, Burkhard. Prediction of novel high-pressure H 2 O -NaCl and carbon oxide compounds with a symmetry-driven structure search algorithm. United States. doi:10.1103/PhysRevB.98.174107.
Domingos, Rustin, Shaik, Kareemullah M., and Militzer, Burkhard. Thu . "Prediction of novel high-pressure H 2 O -NaCl and carbon oxide compounds with a symmetry-driven structure search algorithm". United States. doi:10.1103/PhysRevB.98.174107.
@article{osti_1482281,
title = {Prediction of novel high-pressure H 2 O -NaCl and carbon oxide compounds with a symmetry-driven structure search algorithm},
author = {Domingos, Rustin and Shaik, Kareemullah M. and Militzer, Burkhard},
abstractNote = {},
doi = {10.1103/PhysRevB.98.174107},
journal = {Physical Review B},
number = 17,
volume = 98,
place = {United States},
year = {Thu Nov 15 00:00:00 EST 2018},
month = {Thu Nov 15 00:00:00 EST 2018}
}

Journal Article:
Free Publicly Available Full Text
This content will become publicly available on November 15, 2019
Publisher's Accepted Manuscript

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Works referenced in this record:

Generalized Gradient Approximation Made Simple
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  • Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias
  • Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868
  • DOI: 10.1103/PhysRevLett.77.3865

From ultrasoft pseudopotentials to the projector augmented-wave method
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Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
journal, October 1996