| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5416424 | Journal of Molecular Structure: THEOCHEM | 2010 | 5 Pages |
Abstract
The influence of spatial confinement on the electric properties: dipole moment (μ), dipole polarizability (α), first hyperpolarizability (β) and second hyperpolarizability (γ) of the LiH molecule was studied. The confining model potential is assumed in the form of a penetrable spherical box. The properties in question were calculated within the finite field approach, with an accurate, explicitly correlated wave function. We found all studied properties diminished under confinement.
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Physical and Theoretical Chemistry
Authors
Wojciech Bartkowiak, Krzysztof Strasburger,