Mean excitation energies for molecular ions
Research output: Contribution to journal › Journal article › Research › peer-review
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.
|Journal||Nuclear Instruments & Methods in Physics Research. Section B: Beam Interactions with Materials and Atoms|
|Number of pages||8|
|Publication status||Published - 2017|
- The Faculty of Science - Mean excitation energy, Stopping Power, Molecular Ions, Quantum Chemistry, Computational Chemistry, Excitation Energy