Spectroscopy of sodium atom in liquid helium cluster: a symmetry adapted cluster-configuration interaction (SAC-CI) study |
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Authors: | B Saha R Fukuda H Nakatsuji P K Mukherjee |
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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 |
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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. |
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Keywords: | Spectral shift Helium cluster SAC-CI calculations |
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