An expression for the fourth-order rotational correction terms of the effective dipole moments of nonrigid asymmetric rotors has been derived using the method of contact transformation. The treatment takes into account the large-amplitude bending motion. The correction terms have been calculated for the different bending states of the H2O molecule. A poor convergence of the rotational series for this molecule has been obtained and some different nonpolynomial forms for these series, obtained by different summation methods, have been proposed and tested.
- Convergence properties
- Dipole moment
- Nonrigid asymmetric molecule
- Rotational corrections
ASJC Scopus subject areas
- Physical and Theoretical Chemistry
- Atomic and Molecular Physics, and Optics