skip to main content

DOE PAGESDOE PAGES

This content will become publicly available on September 14, 2019

Title: A new generation of effective core potentials from correlated calculations: 2nd row elements

Authors:
ORCiD logo [1] ;  [2] ; ORCiD logo [2] ; ORCiD logo [1] ; ORCiD logo [3] ;  [2]
  1. Department of Physics, North Carolina State University, Raleigh, North Carolina 27695-8202, USA, Sandia National Laboratories, Albuquerque, New Mexico 87123, USA
  2. Department of Physics, North Carolina State University, Raleigh, North Carolina 27695-8202, USA
  3. Sandia National Laboratories, Albuquerque, New Mexico 87123, USA
Publication Date:
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: 10; Journal ID: ISSN 0021-9606
Publisher:
American Institute of Physics
Sponsoring Org:
USDOE
Country of Publication:
United States
Language:
English
OSTI Identifier:
1470794

Bennett, M. Chandler, Wang, Guangming, Annaberdiyev, Abdulgani, Melton, Cody A., Shulenburger, Luke, and Mitas, Lubos. A new generation of effective core potentials from correlated calculations: 2nd row elements. United States: N. p., Web. doi:10.1063/1.5038135.
Bennett, M. Chandler, Wang, Guangming, Annaberdiyev, Abdulgani, Melton, Cody A., Shulenburger, Luke, & Mitas, Lubos. A new generation of effective core potentials from correlated calculations: 2nd row elements. United States. doi:10.1063/1.5038135.
Bennett, M. Chandler, Wang, Guangming, Annaberdiyev, Abdulgani, Melton, Cody A., Shulenburger, Luke, and Mitas, Lubos. 2018. "A new generation of effective core potentials from correlated calculations: 2nd row elements". United States. doi:10.1063/1.5038135.
@article{osti_1470794,
title = {A new generation of effective core potentials from correlated calculations: 2nd row elements},
author = {Bennett, M. Chandler and Wang, Guangming and Annaberdiyev, Abdulgani and Melton, Cody A. and Shulenburger, Luke and Mitas, Lubos},
abstractNote = {},
doi = {10.1063/1.5038135},
journal = {Journal of Chemical Physics},
number = 10,
volume = 149,
place = {United States},
year = {2018},
month = {9}
}

Works referenced in this record:

Ab initio relativistic effective potentials with spin‐orbit operators. I. Li through Ar
journal, March 1985
  • Fernandez Pacios, Luis; Christiansen, P. A.
  • The Journal of Chemical Physics, Vol. 82, Issue 6, p. 2664-2671
  • DOI: 10.1063/1.448263