Variation in (Hyper)Polarizability of H<sub>2</sub> 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 confinem...
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| Main Authors: | , |
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| Format: | Article |
| Language: | English |
| Published: |
MDPI AG
2024-12-01
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| Series: | Molecules |
| Subjects: | |
| Online Access: | https://www.mdpi.com/1420-3049/30/1/9 |
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| Summary: | 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. |
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| ISSN: | 1420-3049 |