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Title: Fast, accurate evaluation of exact exchange: The occ-RI-K algorithm

Authors:
 [1] ;  [1] ;  [1] ;  [1]
  1. Kenneth S. Pitzer Center for Theoretical Chemistry, Department of Chemistry, University of California, Berkeley, and Chemical Sciences Division, Lawrence Berkeley National Laboratory, Berkeley, California 94720, USA
Publication Date:
Type:
Publisher's Accepted Manuscript
Journal Name:
The Journal of Chemical Physics
Additional Journal Information:
Journal Name: The Journal of Chemical Physics Journal Volume: 143 Journal Issue: 2; Journal ID: ISSN 0021-9606
Publisher:
American Institute of Physics
Sponsoring Org:
USDOE
Country of Publication:
United States
Language:
English
OSTI Identifier:
1228670

Manzer, Samuel, Horn, Paul R., Mardirossian, Narbe, and Head-Gordon, Martin. Fast, accurate evaluation of exact exchange: The occ-RI-K algorithm. United States: N. p., Web. doi:10.1063/1.4923369.
Manzer, Samuel, Horn, Paul R., Mardirossian, Narbe, & Head-Gordon, Martin. Fast, accurate evaluation of exact exchange: The occ-RI-K algorithm. United States. doi:10.1063/1.4923369.
Manzer, Samuel, Horn, Paul R., Mardirossian, Narbe, and Head-Gordon, Martin. 2015. "Fast, accurate evaluation of exact exchange: The occ-RI-K algorithm". United States. doi:10.1063/1.4923369.
@article{osti_1228670,
title = {Fast, accurate evaluation of exact exchange: The occ-RI-K algorithm},
author = {Manzer, Samuel and Horn, Paul R. and Mardirossian, Narbe and Head-Gordon, Martin},
abstractNote = {},
doi = {10.1063/1.4923369},
journal = {The Journal of Chemical Physics},
number = 2,
volume = 143,
place = {United States},
year = {2015},
month = {7}
}

Works referenced in this record:

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Ab Initio Calculation of Vibrational Absorption and Circular Dichroism Spectra Using Density Functional Force Fields
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  • Stephens, P. J.; Devlin, F. J.; Chabalowski, C. F.
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Balanced basis sets of split valence, triple zeta valence and quadruple zeta valence quality for H to Rn: Design and assessment of accuracy
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  • Weigend, Florian; Ahlrichs, Reinhart
  • Physical Chemistry Chemical Physics, Vol. 7, Issue 18, p. 3297-3305
  • DOI: 10.1039/b508541a

Density‐functional thermochemistry. III. The role of exact exchange
journal, April 1993
  • Becke, Axel D.
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  • DOI: 10.1063/1.464913