Application of Pade-forms hamiltonians for fitting and calculating of high-lying vibration-rotation energy levels in diatomic molecules; Proceedings of SPIE; Vol. 2205

Application of Pade-forms hamiltonians for fitting and calculating of high-lying vibration-rotation energy levels in diatomic molecules

Bibliographic Details
Parent link:Proceedings of SPIE: 11th Symposium and School on High-Resolution Molecular Spectroscopy, January 26, 1994.— , 1960-
Vol. 2205.— 1994.— [P. 192-198]
Main Author: Golovko V. F.
Corporate Author: Национальный исследовательский Томский политехнический университет (ТПУ) Физико-технический институт (ФТИ) Кафедра высшей математики и математической физики (ВММФ)
Other Authors: Mikhailenko S. N. Semen Nikolaevich, Tyuterev M. V.
Summary:Title screen
The Pade-technique, developed before, along with the RKR-method is used for describing the absorption frequencies and energy levels of diatomic molecules. The inner wall of the potential energy curve is extrapolated from the force field adjusted in the fitting of low-laying energy levels, and a long-range part of the potential energy curve near dissociation is recovered by application of the RKR-method. The latter uses the extrapolated values of the vibrational energy levels. The similar calculations have been made through the adjusted spectroscopic parameters obtained by a phenomenological Pade-approach. Ab initio energies of the H2 molecule have been exploited to test the Pade-models.
Режим доступа: по договору с организацией-держателем ресурса
Language:English
Published: 1994
Subjects:
электронный ресурс
труды учёных ТПУ
Online Access:http://proceedings.spiedigitallibrary.org/proceeding.aspx?articleid=961685
Format: Electronic Book Chapter
KOHA link:https://koha.lib.tpu.ru/cgi-bin/koha/opac-detail.pl?biblionumber=642649
Description
Summary:Title screen
The Pade-technique, developed before, along with the RKR-method is used for describing the absorption frequencies and energy levels of diatomic molecules. The inner wall of the potential energy curve is extrapolated from the force field adjusted in the fitting of low-laying energy levels, and a long-range part of the potential energy curve near dissociation is recovered by application of the RKR-method. The latter uses the extrapolated values of the vibrational energy levels. The similar calculations have been made through the adjusted spectroscopic parameters obtained by a phenomenological Pade-approach. Ab initio energies of the H2 molecule have been exploited to test the Pade-models.
Режим доступа: по договору с организацией-держателем ресурса

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