10.18126/M2DK97
Bennett, M. Chandler
M. Chandler
Bennett
Melton, Cody A.
Cody A.
Melton
Annaberdiyev, Abdulgani
Abdulgani
Annaberdiyev
Wang, Guangming
Guangming
Wang
Shulenburger, Luke
Luke
Shulenburger
Mitas, Lubos
Lubos
Mitas
Dataset for A New Generation of Effective Core Potentials for Correlated Calculations
Materials Data Facility
2017
Dataset
effective core potentials
pseudopotentials
electron correlation
coupled cluster
basis sets
ECP
CPSFM
Michael Chandler Bennett (mcbennet@ncsu.edu)
Cody Allen Melton (camelto2@ncsu.edu)
Lubos Mitas (lmitas@ncsu.edu)
2017-09-22T15:12:08Z
2017-09-22T15:12:08Z
2017-09-22
https://arxiv.org/abs/1707.03939
Dataset includes all input and output files of calculations performed in the work "A new generation of effective core potentials for correlated calculations" as well as effective core potentials and correlation consistent basis sets generated in the study.