Mean excitation energies for molecular ions

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Phillip W. K. Jensen, Stephan P. A. Sauer, Jens Oddershede, John R. Sabin

The essential material constant that determines the bulk of the stopping power of high energy projectiles, the mean excitation energy, is calculated for a range of smaller molecular ions using the RPA method. It is demonstrated that the mean excitation energy of both molecules and atoms increase with ionic charge. However, while the mean excitation energies of atoms also increase with atomic number, the opposite is the case for mean excitation energies for molecules and molecular ions. The origin of these effects is explained by considering the spectral representation of the excited state contributing to the mean excitation energy.
Original languageEnglish
JournalNuclear Instruments & Methods in Physics Research. Section B: Beam Interactions with Materials and Atoms
Volume394
Pages (from-to)73-80
Number of pages8
ISSN0168-583X
DOIs
Publication statusPublished - 2017

    Research areas

  • The Faculty of Science - Mean excitation energy, Stopping Power, Molecular Ions, Quantum Chemistry, Computational Chemistry, Excitation Energy

ID: 170148318