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cond-mat.mtrl-sci2019
Accurate atomic correlation and total energies for correlation consistent effective core potentials
Abdulgani Annaberdiyev, Cody A. Melton, M. Chandler Bennett +2
Very recently, we introduced a set of correlation consistent effective core potentials (ccECPs) constructed within full many-body approaches. By employing significantly more accura…
cond-mat.mtrl-sci2019
A new generation of effective core potentials from correlated calculations: 4s and 4p main group elements and first row additions
Guangming Wang, Abdulgani Annaberdiyev, Cody A. Melton +3
Recently, we developed a new method for generating effective core potentials (ECPs) using valence energy isospectrality with explicitly correlated all-electron (AE) excitations and…