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Theoretical Prediction of Core-Level Binding Energies: Analysis of Unexpected Errors

Carmen Sousa1, Paul S Bagus2, Francesc Illas1

  • 1Departament de Ciència de Materials i Química Física & Institut de Química Teòrica i Computacional (IQTCUB), Universitat de Barcelona, C/Martí i Franquès 1, Barcelona 08028, Spain.

The Journal of Physical Chemistry. A
|January 25, 2024
PubMed

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