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Title: Analytical gradients for projection-based wavefunction-in-DFT embedding

Authors:
ORCiD logo [1];  [1]; ORCiD logo [2]; ORCiD logo [1]
  1. Division of Chemistry and Chemical Engineering, California Institute of Technology, Pasadena, California 91125, USA
  2. Centre for Computational Chemistry, School of Chemistry, University of Bristol, Bristol BS8 1TS, United Kingdom
Publication Date:
Sponsoring Org.:
USDOE
OSTI Identifier:
1550021
Grant/Contract Number:  
SC0004993; DEFOA-0001912
Resource Type:
Publisher's Accepted Manuscript
Journal Name:
Journal of Chemical Physics
Additional Journal Information:
Journal Name: Journal of Chemical Physics Journal Volume: 151 Journal Issue: 6; Journal ID: ISSN 0021-9606
Publisher:
American Institute of Physics
Country of Publication:
United States
Language:
English

Citation Formats

Lee, Sebastian J. R., Ding, Feizhi, Manby, Frederick R., and Miller, III, Thomas F. Analytical gradients for projection-based wavefunction-in-DFT embedding. United States: N. p., 2019. Web. doi:10.1063/1.5109882.
Lee, Sebastian J. R., Ding, Feizhi, Manby, Frederick R., & Miller, III, Thomas F. Analytical gradients for projection-based wavefunction-in-DFT embedding. United States. doi:10.1063/1.5109882.
Lee, Sebastian J. R., Ding, Feizhi, Manby, Frederick R., and Miller, III, Thomas F. Wed . "Analytical gradients for projection-based wavefunction-in-DFT embedding". United States. doi:10.1063/1.5109882.
@article{osti_1550021,
title = {Analytical gradients for projection-based wavefunction-in-DFT embedding},
author = {Lee, Sebastian J. R. and Ding, Feizhi and Manby, Frederick R. and Miller, III, Thomas F.},
abstractNote = {},
doi = {10.1063/1.5109882},
journal = {Journal of Chemical Physics},
number = 6,
volume = 151,
place = {United States},
year = {2019},
month = {8}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record
DOI: 10.1063/1.5109882

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Cited by: 1 work
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