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Spectroscopy of sodium atom in liquid helium cluster: a symmetry adapted cluster-configuration interaction (SAC-CI) study
Authors:B Saha  R Fukuda  H Nakatsuji  P K Mukherjee
Institution:(1) Department of Synthetic Chemistry and Biological Chemistry, Kyoto University, Katsura, Nishikyo-ku, Kyoto 615-851, Japan;(2) Department of Spectroscopy, Indian Association for the Cultivation of Science, Jadavpur, Kolkata, 700-032, India
Abstract:Excitation line shift of the principal resonance line of sodium atom embedded in liquid helium is estimated using symmetry adapted cluster-configuration interaction (SAC-CI) method with a reasonably good choice of basis set. The effect of the liquid surroundings is considered by taking only the nearest neighbor interaction using several model clusters of helium atoms with a centrally located isolated sodium atom. The transition wavelength of the 2P ← 2S line of Na is estimated both for the free Na and for the Na atom centrally located inside a model helium cluster. The shift depends obviously on the model cluster and the distance of the central Na atom from the surrounding He atom. With a physically realizable structure, SAC-CI calculation correctly predicts the theoretical results obtained previously on such estimates.
Keywords:Spectral shift  Helium cluster  SAC-CI calculations
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