skip to main content
DOE PAGES title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Reformulation of DFT + U as a Pseudohybrid Hubbard Density Functional for Accelerated Materials Discovery

Authors:
; ;
Publication Date:
Sponsoring Org.:
USDOE
OSTI Identifier:
1181220
Grant/Contract Number:  
AC02-05CH11231; N00014-13-1-0635; EDCBEE
Resource Type:
Published Article
Journal Name:
Physical Review X
Additional Journal Information:
Journal Name: Physical Review X Journal Volume: 5 Journal Issue: 1; Journal ID: ISSN 2160-3308
Publisher:
American Physical Society
Country of Publication:
United States
Language:
English

Citation Formats

Agapito, Luis A., Curtarolo, Stefano, and Buongiorno Nardelli, Marco. Reformulation of DFT + U as a Pseudohybrid Hubbard Density Functional for Accelerated Materials Discovery. United States: N. p., 2015. Web. doi:10.1103/PhysRevX.5.011006.
Agapito, Luis A., Curtarolo, Stefano, & Buongiorno Nardelli, Marco. Reformulation of DFT + U as a Pseudohybrid Hubbard Density Functional for Accelerated Materials Discovery. United States. doi:10.1103/PhysRevX.5.011006.
Agapito, Luis A., Curtarolo, Stefano, and Buongiorno Nardelli, Marco. Wed . "Reformulation of DFT + U as a Pseudohybrid Hubbard Density Functional for Accelerated Materials Discovery". United States. doi:10.1103/PhysRevX.5.011006.
@article{osti_1181220,
title = {Reformulation of DFT + U as a Pseudohybrid Hubbard Density Functional for Accelerated Materials Discovery},
author = {Agapito, Luis A. and Curtarolo, Stefano and Buongiorno Nardelli, Marco},
abstractNote = {},
doi = {10.1103/PhysRevX.5.011006},
journal = {Physical Review X},
number = 1,
volume = 5,
place = {United States},
year = {2015},
month = {1}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record
DOI: 10.1103/PhysRevX.5.011006

Citation Metrics:
Cited by: 39 works
Citation information provided by
Web of Science

Save / Share: