Dataset for "Accurate atomic total energies for correlation consistent effective core potentials"
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Dataset for "Accurate atomic total energies for correlation consistent effective core potentials" Included are input and output files for various codes. For each code, outputs are organized per atom. Funding: U.S. Department of Energy Contact: Abdulgani Annaberdiyev <aannabe@ncsu.edu>
创建时间：
2019-07-30
