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Title: Assessing exchange-correlation functional performance for structure and property predictions of oxyfluoride compounds from first principles

Authors:
;
Publication Date:
Grant/Contract Number:
AC02-06CH11357
Type:
Publisher's Accepted Manuscript
Journal Name:
Physical Review B
Additional Journal Information:
Journal Name: Physical Review B Journal Volume: 94 Journal Issue: 17; 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:
1332390

Charles, Nenian, and Rondinelli, James M. Assessing exchange-correlation functional performance for structure and property predictions of oxyfluoride compounds from first principles. United States: N. p., Web. doi:10.1103/PhysRevB.94.174108.
Charles, Nenian, & Rondinelli, James M. Assessing exchange-correlation functional performance for structure and property predictions of oxyfluoride compounds from first principles. United States. doi:10.1103/PhysRevB.94.174108.
Charles, Nenian, and Rondinelli, James M. 2016. "Assessing exchange-correlation functional performance for structure and property predictions of oxyfluoride compounds from first principles". United States. doi:10.1103/PhysRevB.94.174108.
@article{osti_1332390,
title = {Assessing exchange-correlation functional performance for structure and property predictions of oxyfluoride compounds from first principles},
author = {Charles, Nenian and Rondinelli, James M.},
abstractNote = {},
doi = {10.1103/PhysRevB.94.174108},
journal = {Physical Review B},
number = 17,
volume = 94,
place = {United States},
year = {2016},
month = {11}
}

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