Calculation of vibrational HDO energy levels: Analysis of perturbation theory series

Calculation of vibrational HDO energy levels: Analysis of perturbation theory series

Bibliographic Details
Parent link:Optics and Spectroscopy
Vol. 114, iss. 3.— 2013.— [P. 359-367]
Main Author: Bykov A. D. Aleksandr Dmitrievich
Corporate Author: Национальный исследовательский Томский политехнический университет Институт международного образования и языковой коммуникации Кафедра междисциплинарная
Other Authors: Kalinin K. V. Konstantin Vladimirovich, Duchko A. N. Andrey Nikolaevich
Summary:Title screen
Series of the Rayleigh-Schrodinger perturbation theory are analyzed and summated by the example of the HD16O molecule for vibrational energy levels. Particular attention is given to determining the location of singularities-branching points corresponding to the intersection of levels in the complex plane. Numerical analysis demonstrates the divergence of the series for states involved in the Fermi resonance; however, summation by the method of Pade-Hermite approximants makes it possible to reconstruct the levels by coefficients of the series with sufficient accuracy. It is found that resonance-coupled states have common branching points, which leads to the coincidence of series’ coefficients in high orders. Branching points’ characteristics permitting one to obtain a comparatively simple representation of high order corrections are determined.
Режим доступа: по договору с организацией-держателем ресурса
Published: 2013
Series:Spectroscopy Of Atoms And Molecules
Subjects:
электронный ресурс
труды учёных ТПУ
Online Access:http://dx.doi.org/10.1134/S0030400X13020082
Format: Electronic Book Chapter
KOHA link:https://koha.lib.tpu.ru/cgi-bin/koha/opac-detail.pl?biblionumber=648020

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