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Theoretical Chemistry Accounts

, Volume 118, Issue 2, pp 437–441 | Cite as

Spectroscopy of sodium atom in liquid helium cluster: a symmetry adapted cluster-configuration interaction (SAC-CI) study

  • B. Saha
  • R. Fukuda
  • H. Nakatsuji
  • P. K. MukherjeeEmail author
Regular Article

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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Copyright information

© Springer-Verlag 2007

Authors and Affiliations

  • B. Saha
    • 1
  • R. Fukuda
    • 1
  • H. Nakatsuji
    • 1
  • P. K. Mukherjee
    • 2
    Email author
  1. 1.Department of Synthetic Chemistry and Biological ChemistryKyoto UniversityKyotoJapan
  2. 2.Department of SpectroscopyIndian Association for the Cultivation of ScienceJadavpur, KolkataIndia

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