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Dataset: Relativistic EOM-CCSD for core-excited and core-ionized state energiesbased on the 4-component Dirac-Coulomb(-Gaunt) Hamiltonian - MaRDI portal

Dataset: Relativistic EOM-CCSD for core-excited and core-ionized state energiesbased on the 4-component Dirac-Coulomb(-Gaunt) Hamiltonian

From MaRDI portal
Dataset:6719734



DOI10.5281/zenodo.4642458Zenodo4642458MaRDI QIDQ6719734

Dataset published at Zenodo repository.

Sonia Coriani, Marta Lopez Vidal, André Severo Pereira Gomes, Avijit Shee, Loïc Halbert

Publication date: 21 October 2020

Copyright license: Creative Commons Attribution 4.0 International



Description

This dataset collects the unprocessed (= outputs from calculations) and processed (jupyter notebooks) results discussed in the paper titled Relativistic EOM-CCSD for core-excited and core-ionized state energies based on the 4-component Dirac-Coulomb(-Gaunt) Hamiltonian, by Loc Halbert, Marta Lopez Vidal, Avijit Shee, Sonia Coriani and Andre Severo Pereira Gomes. It also contains the figures used in the manuscript.





This page was built for dataset: Dataset: Relativistic EOM-CCSD for core-excited and core-ionized state energiesbased on the 4-component Dirac-Coulomb(-Gaunt) Hamiltonian

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