| 000 | 02491nlm1a2200349 4500 | ||
|---|---|---|---|
| 001 | 642654 | ||
| 005 | 20231030040509.0 | ||
| 035 | _a(RuTPU)RU\TPU\network\7613 | ||
| 035 | _aRU\TPU\network\6346 | ||
| 090 | _a642654 | ||
| 100 | _a20150701a1995 k y0engy50 ba | ||
| 101 | 0 | _aeng | |
| 102 | _aUS | ||
| 135 | _adrcn ---uucaa | ||
| 181 | 0 | _ai | |
| 182 | 0 | _ab | |
| 200 | 1 |
_aCalculation of high rotation energies of the water molecule using the generating function model _fV. G. Tyuterev [et al.] |
|
| 203 |
_aText _celectronic |
||
| 300 | _aTitle screen | ||
| 330 | _aThe previously developed generating function model is applied in this paper to fitting high rotational levels of the water molecule in the domain of rotational quantum numbers where the standard power series expansion of the rotational Hamiltonian has a slow rate of convergence or even diverges. This model typically provides a considerable improvement in the standard deviation of fit with respect both to the conventional polynomial Hamiltonian and to the Pade-type Hamiltonian (with the same or fewer number of adjustable parameters). Ground state rotational levels recovered by Flaud et al. (Mol. Phys.32, 499-521 (1976)) from flame spectra are fitted with accuracy near that of the experimental values: weighted standard deviation χ = 1.8 for 422 levels up to J, Ka ≤ 20 and χ = 2.1 for all available levels up to J ≤ 35. New ground state data reported by Toth (J. Opt. Soc.B8,2236-2255 (1991)) are fitted up to J, Ka ≤ 10 with RMS = 4 × 10−5 cm−1. Tests of extrapolation properties of the generating function model are discussed. In certain cases the accuracy of extrapolation was better than the accuracy of fitting with the standard rotational Hamiltonian | ||
| 333 | _aРежим доступа: по договору с организацией-держателем ресурса | ||
| 461 |
_tJournal of Molecular Spectroscopy _d1957- |
||
| 463 |
_tVol. 170, № 1 _v[P. 38–58] _d1995 |
||
| 610 | 1 | _aэлектронный ресурс | |
| 610 | 1 | _aтруды учёных ТПУ | |
| 701 | 1 |
_aTyuterev _bV. G. |
|
| 701 | 1 |
_aStarikov _bV. I. |
|
| 701 | 1 |
_aTashkun _bS. A. |
|
| 701 | 1 |
_aMikhailenko _bS. N. _cphysicist _cAssociate Professor of Tomsk Polytechnic University, Candidate of physical and mathematical sciences _f1962- _gSemen Nikolaevich _2stltpush _3(RuTPU)RU\TPU\pers\34035 |
|
| 801 | 2 |
_aRU _b63413507 _c20160406 _gRCR |
|
| 856 | 4 | _uhttp://dx.doi.org/10.1006/jmsp.1995.1055 | |
| 942 | _cCF | ||