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Title: Communication: Recovering the flat-plane condition in electronic structure theory at semi-local DFT cost

Authors:
 [1] ;  [2] ; ORCiD logo [2]
  1. Department of Chemical Engineering, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139, USA, Department of Materials Science and Engineering, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139, USA
  2. Department of Chemical Engineering, Massachusetts Institute of Technology, Cambridge, Massachusetts 02139, USA
Publication Date:
Grant/Contract Number:
SC0018096
Type:
Publisher's Accepted Manuscript
Journal Name:
Journal of Chemical Physics
Additional Journal Information:
Journal Name: Journal of Chemical Physics Journal Volume: 147 Journal Issue: 19; Journal ID: ISSN 0021-9606
Publisher:
American Institute of Physics
Sponsoring Org:
USDOE
Country of Publication:
United States
Language:
English
OSTI Identifier:
1409703

Bajaj, Akash, Janet, Jon Paul, and Kulik, Heather J. Communication: Recovering the flat-plane condition in electronic structure theory at semi-local DFT cost. United States: N. p., Web. doi:10.1063/1.5008981.
Bajaj, Akash, Janet, Jon Paul, & Kulik, Heather J. Communication: Recovering the flat-plane condition in electronic structure theory at semi-local DFT cost. United States. doi:10.1063/1.5008981.
Bajaj, Akash, Janet, Jon Paul, and Kulik, Heather J. 2017. "Communication: Recovering the flat-plane condition in electronic structure theory at semi-local DFT cost". United States. doi:10.1063/1.5008981.
@article{osti_1409703,
title = {Communication: Recovering the flat-plane condition in electronic structure theory at semi-local DFT cost},
author = {Bajaj, Akash and Janet, Jon Paul and Kulik, Heather J.},
abstractNote = {},
doi = {10.1063/1.5008981},
journal = {Journal of Chemical Physics},
number = 19,
volume = 147,
place = {United States},
year = {2017},
month = {11}
}

Works referenced in this record:

QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations of materials
journal, September 2009
  • Giannozzi, Paolo; Baroni, Stefano; Bonini, Nicola
  • Journal of Physics: Condensed Matter, Vol. 21, Issue 39, Article No. 395502
  • DOI: 10.1088/0953-8984/21/39/395502