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This content will become publicly available on October 24, 2018

Title: Self-consistent self-interaction corrected density functional theory calculations for atoms using Fermi-Löwdin orbitals: Optimized Fermi-orbital descriptors for Li–Kr

Authors:
 [1] ;  [1] ;  [2] ; ORCiD logo [3] ;  [4] ; ORCiD logo [1]
  1. Physics Department and Science of Advanced Materials Ph.D. Program, Central Michigan University, Mt Pleasant, Michigan 48859, USA
  2. Institute of Theoretical Physics, TU Bergakademie Freiberg, 09596 Freiberg, Germany, Department of Chemistry, The Johns Hopkins University, Baltimore, Maryland 21218, USA
  3. Department of Chemistry, The Johns Hopkins University, Baltimore, Maryland 21218, USA, Department of Physics, Government College University, 38040 Faisalabad, Pakistan
  4. Institute of Theoretical Physics, TU Bergakademie Freiberg, 09596 Freiberg, Germany
Publication Date:
Grant/Contract Number:
SC0001330
Type:
Publisher's Accepted Manuscript
Journal Name:
Journal of Chemical Physics
Additional Journal Information:
Journal Name: Journal of Chemical Physics Journal Volume: 147 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:
1402537