期刊
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
卷 19, 期 22, 页码 14718-14728出版社
ROYAL SOC CHEMISTRY
DOI: 10.1039/c7cp02332d
关键词
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资金
- Austrian Science Fund (FWF) via an Erwin Schrodinger Fellowship [J 3580-N20]
- NAWI Graz
- Austrian Science Fund (FWF) [J3580] Funding Source: Austrian Science Fund (FWF)
- Austrian Science Fund (FWF) [J 3580] Funding Source: researchfish
Electronic excitations of an electron bound to an alkali metal ion inside a droplet of superfluid He-4 are computed via a combination of helium density functional theory and the numerical integration of the Schrodinger equation for a single electron in a modified, He density dependent atomic pseudopotential. The application of a spectral method to the radial part of the valence electron wavefunction allows the computation of highly excited Rydberg states. For low principal quantum numbers, the energy required to push the electron outward is larger than the solvation energy of the ion. However, for higher principal quantum numbers the situation is reversed, which suggests the stability of a system where the ion sits inside the droplet while the valence electron orbits the nanodroplet.
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