Gaussian basis sets for use in correlated molecular calculations. XI. Pseudopotential-based and all-electron relativistic basis sets for alkali metal (K–Fr) and alkaline earth (Ca–Ra) elements

Hill, J. orcid.org/0000-0002-6457-5837 and Peterson, K.A. (2017) Gaussian basis sets for use in correlated molecular calculations. XI. Pseudopotential-based and all-electron relativistic basis sets for alkali metal (K–Fr) and alkaline earth (Ca–Ra) elements. Journal of Chemical Physics, 147. 244106. ISSN 0021-9606

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Authors/Creators:
Copyright, Publisher and Additional Information: © 2017 Author(s). All article content, except where otherwise noted, is licensed under a Creative Commons Attribution (CC BY) license (http://creativecommons.org/licenses/by/4.0/). https://doi.org/10.1063/1.5010587.
Dates:
  • Published: 28 December 2017
  • Published (online): 22 December 2017
  • Accepted: 1 December 2017
Institution: The University of Sheffield
Academic Units: The University of Sheffield > Faculty of Science (Sheffield) > Department of Chemistry (Sheffield)
Funding Information:
FunderGrant number
ENGINEERING AND PHYSICAL SCIENCE RESEARCH COUNCIL (EPSRC)EP/N00253X/1
Depositing User: Symplectic Sheffield
Date Deposited: 08 Dec 2017 10:42
Last Modified: 06 Nov 2018 13:05
Published Version: https://doi.org/10.1063/1.5010587
Status: Published
Publisher: AIP Publishing
Refereed: Yes
Identification Number: https://doi.org/10.1063/1.5010587

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