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This content will become publicly available on October 8, 2019

Title: Even-handed subsystem selection in projection-based embedding

Authors:
 [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:
Grant/Contract Number:
SC0004993
Type:
Publisher's Accepted Manuscript
Journal Name:
Journal of Chemical Physics
Additional Journal Information:
Journal Name: Journal of Chemical Physics Journal Volume: 149 Journal Issue: 14; Journal ID: ISSN 0021-9606
Publisher:
American Institute of Physics
Sponsoring Org:
USDOE
Country of Publication:
United States
Language:
English
OSTI Identifier:
1476695

Welborn, Matthew, Manby, Frederick R., and Miller, III, Thomas F.. Even-handed subsystem selection in projection-based embedding. United States: N. p., Web. doi:10.1063/1.5050533.
Welborn, Matthew, Manby, Frederick R., & Miller, III, Thomas F.. Even-handed subsystem selection in projection-based embedding. United States. doi:10.1063/1.5050533.
Welborn, Matthew, Manby, Frederick R., and Miller, III, Thomas F.. 2018. "Even-handed subsystem selection in projection-based embedding". United States. doi:10.1063/1.5050533.
@article{osti_1476695,
title = {Even-handed subsystem selection in projection-based embedding},
author = {Welborn, Matthew and Manby, Frederick R. and Miller, III, Thomas F.},
abstractNote = {},
doi = {10.1063/1.5050533},
journal = {Journal of Chemical Physics},
number = 14,
volume = 149,
place = {United States},
year = {2018},
month = {10}
}

Works referenced in this record:

Ab Initio Calculation of Vibrational Absorption and Circular Dichroism Spectra Using Density Functional Force Fields
journal, November 1994
  • Stephens, P. J.; Devlin, F. J.; Chabalowski, C. F.
  • The Journal of Physical Chemistry, Vol. 98, Issue 45, p. 11623-11627
  • DOI: 10.1021/j100096a001

Density‚Äźfunctional thermochemistry. III. The role of exact exchange
journal, April 1993
  • Becke, Axel D.
  • The Journal of Chemical Physics, Vol. 98, Issue 7, p. 5648-5652
  • DOI: 10.1063/1.464913