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One-dimensional approximation of the effective rotational Hamiltonian of the ground state of the water molecule

โœ Scribed by O.L. Polyansky

Publisher
Elsevier Science
Year
1985
Tongue
English
Weight
513 KB
Volume
112
Category
Article
ISSN
0022-2852

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โœฆ Synopsis

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-' for levels with the maximum rotational quantum numbers K = 20 and J = 20 in a model with 24 parameters and terms up to JR.

๐Ÿ“œ SIMILAR VOLUMES

On the Rotational Analysis of the Ground
On the Rotational Analysis of the Ground Vibrational State of CH3D Molecule
โœ O.N. Ulenikov; G.A. Onopenko; N.E. Tyabaeva; J. Schroderus; S. Alanko ๐Ÿ“‚ Article ๐Ÿ“… 1999 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 289 KB

The rotational analysis in the ground vibrational state has been carried out for CH 3 D by using the ground state combination differences. More than 1500 allowed and 2500 forbidden transitions from the fundamental bands 3 , 5 , and 6 were used to determine 12 rotational parameters, which reproduce t