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HeH+ under Spatial Confinement
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DOI：10.3390/molecules27248997.png)
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摘要
En 中文
In the present study, the influence of spatial confinement on the bond length as well as dipole moment, polarizability and (hyper)polarizabilities of HeH+ ion was analyzed. The effect of spatial confinement was modelled by cylindrically symmetric harmonic oscillator potential, that can be used to mimic high pressure conditions. Based on the conducted research it was found that the spatial confinement significantly affects the investigated properties. Increasing the confinement strength leads to a substantial decrease of their values. This work may be of particular interest for astrochemistry as HeH+ is believed to be the first compound to form in the Universe.
Keyword:
HeH+
spatial confinement
harmonic oscillator potential
electric properties
dipole moment
polarizability
hyperpolarizability
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期刊
IF:
4.6
论文数:
6.5W
被引数:
23.7W
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