NDLI: Calculation of the energy levels of excited vibrational states of the HD$^{16}$O molecule by summing divergent series of the Rayleigh-Schrödinger perturbation theory. The shift of zero-order levels

Content Provider	Springer Nature Link
Author	Bykov, A. D. Duchko, A. N. Kalinin, K. V.
Copyright Year	2014
Abstract	The Rayleigh-Schrödinger perturbation theory is applied to calculation of the energy levels of excited vibrational states of the HD$^{16}$O molecule. The model of coupled anharmonic oscillators is considered, with the anharmonic part of potential energy being taken into account as the perturbation. The calculations are carried out for the vibrational states that correspond to three-to seven-fold vibrational excitations. Since the perturbation series diverge in the case of strong resonance interactions and their approximations by the Padé and Padé-Hermite methods do not yield sufficiently correct results, a calculation technique is applied that allows the zero-order approximation to be modified. The zero-order Hamiltonian is modified by shifting the vibrational frequencies, which decreases the mixing of states. The new Rayleigh-Schrödinger series can be summed using the quadratic Padé-Hermite approximation method.
Starting Page	557
Ending Page	563
Page Count	7
File Format	PDF
ISSN	0030400X
Journal	Optics and Spectroscopy
Volume Number	116
Issue Number	4
e-ISSN	15626911
Language	English
Publisher	Pleiades Publishing
Publisher Date	2014-04-27
Publisher Place	Moscow
Access Restriction	One Nation One Subscription (ONOS)
Subject Keyword	Optics, Optoelectronics, Plasmonics and Optical Devices
Content Type	Text
Resource Type	Article
Subject	Atomic and Molecular Physics, and Optics Electronic, Optical and Magnetic Materials

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