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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

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Dataset: Relativistic EOM-CCSD for core-excited and core-ionized state energiesbased on the 4-component Dirac-Coulomb(-Gaunt) Hamiltonian (Q6719734)

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Dataset published at Zenodo repository.
Language Label Description Also known as
English
Dataset: Relativistic EOM-CCSD for core-excited and core-ionized state energiesbased on the 4-component Dirac-Coulomb(-Gaunt) Hamiltonian
Dataset published at Zenodo repository.

    Statements

    instance of
    data set
    0 references
    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.
    0 references
    publication date
    21 October 2020
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    author
    Loïc Halbert
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    Marta Lopez Vidal
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    Avijit Shee
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    Sonia Coriani
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    dataset version identifier
    1.1
    0 references

    Identifiers

    Zenodo ID
    4642458
    0 references
     
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