Veld, Maikel (2022) Ionization Potential and Electron Affinity of Darmstadtium. Bachelor's Thesis, Physics.
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Abstract
In this paper calculations are performed for Darmstadtium and its lighter homologue Platinum. Experiments are hard to do on superheavy elements, due to their short lifespans, picobarn cross-sections, and low production rates. Theoretical calculations can predict chemical properties, serving as a benchmark of what to look for when performing experiments. Calculations are performed in the DIRAC19 program, with the relativistic 4-component Dirac-Coulomb coupled cluster (CCSD(T)) method and large augmented basis sets. For Platinum, results were produced within a percent of the experimental values. Consequently, for Darmstadtium, an IP of 9,701 eV and EA of 1,749 eV were produced. The CBS limit is applied, yielding final results for the IP and EA of Darmstadtium of 9,765 eV and 1,776 eV, respectively.
| Item Type: | Thesis (Bachelor's Thesis) |
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| Supervisor name: | Borschevsky, A. |
| Degree programme: | Physics |
| Thesis type: | Bachelor's Thesis |
| Language: | English |
| Date Deposited: | 15 Aug 2022 08:47 |
| Last Modified: | 15 Aug 2022 08:47 |
| URI: | https://fse.studenttheses.ub.rug.nl/id/eprint/28371 |
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