Published July 24, 2018
| Version 1.0
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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
- 1. University of Michigan, CNRS / Universite de Lille
- 2. CNRS / Universite Paul Sabatier, Centre for Advanced Study at the Norwegian Academy of Science and Letters
- 3. VU University Amsterdam
- 4. CNRS / Universite de Lille
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.
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md5:0bdb36ed68c7f4b329fc4a54af90ad2d
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Additional details
Related works
- Is cited by
- arXiv:1808.08205 (arXiv)
- 10.1063/1.5053846 (DOI)