Expansion of the generating-function approach for non-rigid X2Y-type molecules by means of the Borel-type summation

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Published under licence by IOP Publishing Ltd
, , Citation V I Starikov and S N Mikhailenko 2000 J. Phys. B: At. Mol. Opt. Phys. 33 2141 DOI 10.1088/0953-4075/33/11/314

0953-4075/33/11/2141

Abstract

The application of the generating-function approach in the Borel-type summation method leads to a new kind of generating function for an effective rotational Hamiltonian of non-rigid X2Y-type molecules. These functions are based on the incomplete gamma function Γ(a,x). The integrand exponent parameter a determines the asymptotic behaviour of the calculated energy levels. A new type of generating function was tested in the calculations of rotational energies of the (040) vibrational state of H2O and the ground state of CH2 molecules.

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10.1088/0953-4075/33/11/314