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Computation of Auger Electron Spectra in Organic Molecules with Multiconfiguration Pair-Density Functional Theory

Electronic Structure - Modeling Properties

Publication Details

  • Authors: A. E. A. Fouda, B. Jangid, E. Pelimanni, S. H. Southworth, P. J. Ho, L. Gagliardi, and L. Young
  • Publication Number: 507
  • Year: 2025
  • Journal: J. Phys. Chem. A
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Full Citation

A. E. A. Fouda, B. Jangid, E. Pelimanni, S. H. Southworth, P. J. Ho, L. Gagliardi, and L. Young, Computation of Auger Electron Spectra in Organic Molecules with Multiconfiguration Pair-Density Functional Theory, J. Phys. Chem. A, 2025. DOI: 10.1021/acs.jpca.5c01789