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Title: Understanding the many-body expansion for large systems. II. Accuracy considerations

Authors:
 [1] ;  [1] ; ORCiD logo [1] ; ORCiD logo [1]
  1. Department of Chemistry and Biochemistry, The Ohio State University, Columbus, Ohio 43210, USA
Publication Date:
Grant/Contract Number:
SC0008550
Type:
Publisher's Accepted Manuscript
Journal Name:
The Journal of Chemical Physics
Additional Journal Information:
Journal Name: The Journal of Chemical Physics Journal Volume: 144 Journal Issue: 16; Journal ID: ISSN 0021-9606
Publisher:
American Institute of Physics
Sponsoring Org:
USDOE
Country of Publication:
United States
Language:
English
OSTI Identifier:
1249676

Lao, Ka Un, Liu, Kuan-Yu, Richard, Ryan M., and Herbert, John M.. Understanding the many-body expansion for large systems. II. Accuracy considerations. United States: N. p., Web. doi:10.1063/1.4947087.
Lao, Ka Un, Liu, Kuan-Yu, Richard, Ryan M., & Herbert, John M.. Understanding the many-body expansion for large systems. II. Accuracy considerations. United States. doi:10.1063/1.4947087.
Lao, Ka Un, Liu, Kuan-Yu, Richard, Ryan M., and Herbert, John M.. 2016. "Understanding the many-body expansion for large systems. II. Accuracy considerations". United States. doi:10.1063/1.4947087.
@article{osti_1249676,
title = {Understanding the many-body expansion for large systems. II. Accuracy considerations},
author = {Lao, Ka Un and Liu, Kuan-Yu and Richard, Ryan M. and Herbert, John M.},
abstractNote = {},
doi = {10.1063/1.4947087},
journal = {The Journal of Chemical Physics},
number = 16,
volume = 144,
place = {United States},
year = {2016},
month = {4}
}

Works referenced in this record:

Charge Model 5: An Extension of Hirshfeld Population Analysis for the Accurate Description of Molecular Interactions in Gaseous and Condensed Phases
journal, February 2012
  • Marenich, Aleksandr V.; Jerome, Steven V.; Cramer, Christopher J.
  • Journal of Chemical Theory and Computation, Vol. 8, Issue 2, p. 527-541
  • DOI: 10.1021/ct200866d

The calculation of small molecular interactions by the differences of separate total energies. Some procedures with reduced errors
journal, October 1970