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.
|Number of pages||12|
|Journal||Journal of Physics B: Atomic, Molecular and Optical Physics|
|Publication status||Published - 14 Jun 2000|
ASJC Scopus subject areas
- Physics and Astronomy(all)
- Atomic and Molecular Physics, and Optics