Abstract
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.
Original language | English |
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Pages (from-to) | 166-171 |
Number of pages | 6 |
Journal | Journal of Molecular Spectroscopy |
Volume | 206 |
Issue number | 2 |
DOIs | |
Publication status | Published - 2001 |
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Keywords
- Convergence properties
- Dipole moment
- HO
- Nonrigid asymmetric molecule
- Rotational corrections
ASJC Scopus subject areas
- Physical and Theoretical Chemistry
- Spectroscopy
- Atomic and Molecular Physics, and Optics
Cite this
Fourth-order rotational corrections to the effective dipole moments of nonrigid asymmetric rotors. / Starikov, V. I.
In: Journal of Molecular Spectroscopy, Vol. 206, No. 2, 2001, p. 166-171.Research output: Contribution to journal › Article
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TY - JOUR
T1 - Fourth-order rotational corrections to the effective dipole moments of nonrigid asymmetric rotors
AU - Starikov, V. I.
PY - 2001
Y1 - 2001
N2 - 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.
AB - 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.
KW - Convergence properties
KW - Dipole moment
KW - HO
KW - Nonrigid asymmetric molecule
KW - Rotational corrections
UR - http://www.scopus.com/inward/record.url?scp=0035527173&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=0035527173&partnerID=8YFLogxK
U2 - 10.1006/jmsp.2001.8306
DO - 10.1006/jmsp.2001.8306
M3 - Article
AN - SCOPUS:0035527173
VL - 206
SP - 166
EP - 171
JO - Journal of Molecular Spectroscopy
JF - Journal of Molecular Spectroscopy
SN - 0022-2852
IS - 2
ER -