This archive contains the data associated with the publication of the same name.
neutral_helium/<functional>/<*mag>/
Quantum ESPRESSO input (helium.in) and output (helium.out) files for calculations of the neutral helium atom with a variety of functionals and total magnetizations
charged_helium/he_<n_up>_<n_down>.scf.pw?
Quantum ESPRESSO input (*.pwi) and output (*.pwo) files for calculations of the charged helium atom with the PBE functional, n_up spin-up electrons, and n_down spin-down electrons
He_ONCV_PBE-1.0.upf
the pseudopotential used for all the calculations
Andrew Burgess
Trinity College Dublin
burgesan@tcd.ie
Edward Linscott
Paul Scherrer Institute
edward.linscott@psi.ch
David O'Regan
Trinity College Dublin
david.o.regan@tcd.ie
Files and data are licensed under the terms of the Creative Commons Attribution 4.0 International license.
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