Variation in (Hyper)Polarizability of H(2) Molecule in Bond Dissociation Processes Under Spatial Confinement

空间限制下H(2)分子键解离过程中(超)极化率的变化

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Abstract

We report the results of calculations of the linear polarizability and second hyperpolarizability of the H(2) 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(2) for each interatomic (H-H) distance.

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