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One-dimensional approximation of the effective rotational Hamiltonian of the ground state of the water molecule
Authors:O.L. Polyansky
Affiliation:Institute of Applied Physics, Academy of Sciences of the USSR, Uljanov Street 46, 603600 Gorky, USSR
Abstract:A method is presented for summation of the divergent perturbation-theory series used in molecular spectroscopy, by means of a one-dimensional approximation. Application of the proposed method enables one to fit the energy levels of the ground state of the water molecule (Mol. Phys. 32, 499–521 (1976)) to a maximum difference between the observed and the calculated levels of less than 8 cm?1 for levels with the maximum rotational quantum numbers K = 20 and J = 20 in a model with 24 parameters and terms up to J8.
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