Abstract
We present an analysis of the electronic 3p←3s excitation of Na atoms attached to 3He and 4He droplets. Once the ground state structure of the doped drops has been obtained within finite-range density functional theory, we determine the time-correlation function of the Na atom evolving in the full three-dimensional 2Π1/2, 2Π3/2 and 2Σ1/2 potentials generated by its pairwise interaction with the helium atoms. The Fourier analysis of the time-correlation function determines the absorption spectrum of Na, which is compared with the experimental spectrum. We show that the existence of a redshifted shoulder in the absorption line of Na@4He N , absent in Na@3He N , is due to the wider vibrational motion of the dopant atom in the dimple it causes on the surface of the droplet.
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Supported in part by Grant No. FIS2008-00421/FIS from DGI, Spain (FEDER).
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Hernando, A., Barranco, M., Mayol, R. et al. Absorption Spectrum of Na Atoms Attached to Helium Nanodroplets. J Low Temp Phys 158, 105–111 (2010). https://doi.org/10.1007/s10909-009-9934-7
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DOI: https://doi.org/10.1007/s10909-009-9934-7