Variation in (Hyper)Polarizability of H2 Molecule in Bond Dissociation Processes Under Spatial Confinement
We report the results of calculations of the linear polarizability and second hyperpolarizability of the H<sub>2</sub> molecule in the bond dissociation process. These calculations were performed for isolated molecules, as well as molecules under spatial confinement. The spatial confinement was modeled using the external two-dimensional (cylindrical) harmonic oscillator potential. In contrast to the recently investigated polar LiH molecule, it was shown that the spatial confinement significantly diminishes the linear and nonlinear response of H<sub>2</sub> for each interatomic (H-H) distance.
Authors
- Wojciech Bartkowiak (ORCID: https://orcid.org/0000-0002-3442-9302)
- Paweł Lipkowski (ORCID: https://orcid.org/0000-0002-4974-7805)
Institutions
- Wrocław University of Science and Technology (PL)
- AGH University of Krakow (PL)
Publication Details
- Journal
- Molecules
- Published
- 2024-12-24
- DOI
- https://doi.org/10.3390/molecules30010009
- Citations
- 1
- Primary Topic
- Molecular Spectroscopy and Structure
- Type
- article
- Field-Weighted Citation Impact
- 0.24
Funders
- Wroclawskie Centrum Sieciowo-Superkomputerowe, Politechnika Wroclawska