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Updated: Jun 3, 2025

Spatial Separation of Molecular Conformers and Clusters
Published on: January 9, 2014
Variation in (Hyper)Polarizability of H2 Molecule in Bond Dissociation Processes Under Spatial Confinement
Paweł Lipkowski1, Wojciech Bartkowiak1
1Department of Physical and Quantum Chemistry, Wrocław University of Science and Technology, 50-370 Wrocław, Poland.
Abstract:
We report the results of calculations of the linear polarizability and second hyperpolarizability of the H2 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 H2 for each interatomic (H-H) distance.
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