Equation-of-Motion Coupled-Cluster Theory based on the 4-component Dirac--Coulomb(--Gaunt) Hamiltonian. Energies for single electron detachment, attachment and electronically excited states: Dataset

  • Luuk Visscher (Contributor)
  • Trond Saue (Contributor)
  • Andr? Severo Pereira Gomes (Contributor)
  • Avijit Shee (Contributor)

Dataset

Description

This dataset collects the unprocessed (= outputs from calculations) and processed (= outputs from fits for obtaining spectroscopic constants) results discussed in the paper titled "Equation-of-Motion Coupled-Cluster Theory based on the 4-component Dirac--Coulomb(--Gaunt) Hamiltonian. Energies for single electron detachment, attachment and electronically excited states", by Avijit Shee, Trond Saue, Lucas Visscher and Andre Severo Pereira Gomes.
Date made available24 Jul 2018
PublisherZenodo

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