Bulletin of the American Physical Society
APS March Meeting 2022
Volume 67, Number 3
Monday–Friday, March 14–18, 2022; Chicago
Session G66: Novel Techniques
11:30 AM–2:30 PM,
Tuesday, March 15, 2022
Room: Hyatt Regency Hotel -Grant Park D
Chair: Timothy Kidd, INI
Abstract: G66.00006 : A new generation of effective core potentials from correlated and spin-orbit calculations: selected heavy elements*
12:30 PM–12:42 PM
Presenter:
Benjamin E Kincaid
(North Carolina State University)
Authors:
Benjamin E Kincaid
(North Carolina State University)
Guangming Wang
(North Carolina State University)
Haihan Zhou
(North Carolina State University)
Abdulgani Annaberdiyev
(North Carolina State University)
Michael C Bennett
(Oak Ridge National Lab)
Jaron T Krogel
(Oak Ridge National Lab)
Lubos Mitas
(North Carolina State University)
*This work has been supported by the U.S. Department of Energy, Office of Science, Basic Energy Sciences, Materials Sciences and Engineering Division, as part of the Computational Materials Sciences Program and Center for Predictive Simulation of Functional Materials.This research used resources of the National Energy Research Scientific Computing Center (NERSC), a U.S. Department of Energy Office of Science User Facility operated under Contract No. DE-AC02-05CH11231.This paper describes objective technical results and analysis. Any subjective views or opinions that might be expressed in the paper do not necessarily represent the views of the U.S. Department of Energy or the United States Government.Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy's National Nuclear
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