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• Electronic structure and time-dependent description of rotational predissociation of LiH

  Publikacja

  • P. Jasik
  • J. E. Sienkiewicz
  • J. Domsta
  • N. Henriksen

  - PHYSICAL CHEMISTRY CHEMICAL PHYSICS - Rok 2017

  The adiabatic potential energy curves of the ^1Sigma+ and ^1Pi states of the LiH molecule were calculated. They correlate asymptotically to atomic states, such as 2s + 1s, 2p + 1s, 3s + 1s, 3p + 1s, 3d + 1s, 4s + 1s, 4p + 1s and 4d + 1s. A very good agreement was found between our calculated spectroscopic parameters and the experimental ones. The dynamics of the rotational predissociation process of the 1^1Pi state were studied...

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