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Title: eQE: An open-source density functional embedding theory code for the condensed phase: GENOVA et al.

Authors:
 [1];  [2];  [1];  [3];  [4]; ORCiD logo [1]
  1. Department of Chemistry, Rutgers University, Newark New Jersey 07102
  2. Department of Chemistry, Rutgers University, Newark New Jersey 07102, Istituto di Scienze e Tecnologie Molecolari CNR c/o Dipartimento di Chimica, Università degli studi di Milano, via Golgi 19, 20133, Milano Italy
  3. Theory and Simulations of Materials (THEOS) and National Centre for Computational Design and Discovery of Novel Materials (MARVEL), Institute of Computational Studies, École Polytechnique Fédérale de Lausanne, Station 12 Lausanne CH-1015 Switzerland
  4. Department of Chemistry and Chemical Biology, Cornell University, Ithaca New York 14853
Publication Date:
Sponsoring Org.:
USDOE
OSTI Identifier:
1401323
Grant/Contract Number:  
AC02-06CH11357
Resource Type:
Publisher's Accepted Manuscript
Journal Name:
International Journal of Quantum Chemistry
Additional Journal Information:
Journal Name: International Journal of Quantum Chemistry Journal Volume: 117 Journal Issue: 16; Journal ID: ISSN 0020-7608
Publisher:
Wiley Blackwell (John Wiley & Sons)
Country of Publication:
United States
Language:
English

Citation Formats

Genova, Alessandro, Ceresoli, Davide, Krishtal, Alisa, Andreussi, Oliviero, DiStasio, Jr, Robert A., and Pavanello, Michele. eQE: An open-source density functional embedding theory code for the condensed phase: GENOVA et al.. United States: N. p., 2017. Web. doi:10.1002/qua.25401.
Genova, Alessandro, Ceresoli, Davide, Krishtal, Alisa, Andreussi, Oliviero, DiStasio, Jr, Robert A., & Pavanello, Michele. eQE: An open-source density functional embedding theory code for the condensed phase: GENOVA et al.. United States. doi:10.1002/qua.25401.
Genova, Alessandro, Ceresoli, Davide, Krishtal, Alisa, Andreussi, Oliviero, DiStasio, Jr, Robert A., and Pavanello, Michele. Fri . "eQE: An open-source density functional embedding theory code for the condensed phase: GENOVA et al.". United States. doi:10.1002/qua.25401.
@article{osti_1401323,
title = {eQE: An open-source density functional embedding theory code for the condensed phase: GENOVA et al.},
author = {Genova, Alessandro and Ceresoli, Davide and Krishtal, Alisa and Andreussi, Oliviero and DiStasio, Jr, Robert A. and Pavanello, Michele},
abstractNote = {},
doi = {10.1002/qua.25401},
journal = {International Journal of Quantum Chemistry},
number = 16,
volume = 117,
place = {United States},
year = {2017},
month = {5}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record
DOI: 10.1002/qua.25401

Citation Metrics:
Cited by: 11 works
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