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Title: Density-based errors in mixed-basis mean-field electronic structure, with implications for embedding and QM/MM methods

Authors:
; ; ; ;
Publication Date:
Sponsoring Org.:
USDOE
OSTI Identifier:
1564443
Grant/Contract Number:  
SC0004993
Resource Type:
Publisher's Accepted Manuscript
Journal Name:
Chemical Physics Letters
Additional Journal Information:
Journal Name: Chemical Physics Letters Journal Volume: 683 Journal Issue: C; Journal ID: ISSN 0009-2614
Publisher:
Elsevier
Country of Publication:
Netherlands
Language:
English

Citation Formats

Lee, Sebastian J. R., Miyamoto, Kaito, Ding, Feizhi, Manby, Frederick R., and Miller, III, Thomas F. Density-based errors in mixed-basis mean-field electronic structure, with implications for embedding and QM/MM methods. Netherlands: N. p., 2017. Web. doi:10.1016/j.cplett.2017.04.059.
Lee, Sebastian J. R., Miyamoto, Kaito, Ding, Feizhi, Manby, Frederick R., & Miller, III, Thomas F. Density-based errors in mixed-basis mean-field electronic structure, with implications for embedding and QM/MM methods. Netherlands. doi:10.1016/j.cplett.2017.04.059.
Lee, Sebastian J. R., Miyamoto, Kaito, Ding, Feizhi, Manby, Frederick R., and Miller, III, Thomas F. Fri . "Density-based errors in mixed-basis mean-field electronic structure, with implications for embedding and QM/MM methods". Netherlands. doi:10.1016/j.cplett.2017.04.059.
@article{osti_1564443,
title = {Density-based errors in mixed-basis mean-field electronic structure, with implications for embedding and QM/MM methods},
author = {Lee, Sebastian J. R. and Miyamoto, Kaito and Ding, Feizhi and Manby, Frederick R. and Miller, III, Thomas F.},
abstractNote = {},
doi = {10.1016/j.cplett.2017.04.059},
journal = {Chemical Physics Letters},
number = C,
volume = 683,
place = {Netherlands},
year = {2017},
month = {9}
}

Journal Article:
Free Publicly Available Full Text
Publisher's Version of Record
DOI: 10.1016/j.cplett.2017.04.059

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Cited by: 2 works
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