Work

Variation in (Hyper)Polarizability of H2 Molecule in Bond Dissociation Processes Under Spatial Confinement

Year: 2024

Type: article

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.

Source: Molecules

DOI: 10.3390/molecules30010009

Authors: Paweł Lipkowski, Wojciech Bartkowiak

Institution: Wrocław University of Science and Technology

Language: English

Topic: Nonlinear Optical Materials Research

Subfield: Electronic, Optical and Magnetic Materials

Field: Materials Science

Domain: Physical Sciences

Open Access status: gold

Estimated APC paid: $3,069

Funder: Wroclawskie Centrum Sieciowo-Superkomputerowe, Politechnika Wroclawska