An Efficient Method for Determining Matrix Elements of the Dipole Moment Operator and Corrections to the Energy of a Polyatomic Molecule Using the Perturbation Theory within the Polynomials of Quantum Numbers Formalism

被引：1

作者：

Yur'ev, M. Yu. ^{[1
]}

Vakhromov, V. M. ^{[1
]}

Voloshchenko, A. O. ^{[1
]}

Klink, L. B. ^{[1
]}

机构：

[1] Irkutsk Natl Res Tech Univ, Inst Quantum Phys, Irkutsk 664074, Russia

来源：

OPTICS AND SPECTROSCOPY | 2021年 / 129卷 / 09期

关键词：

perturbation theory; dipole moment; polyatomic molecules; anharmonic vibrations; TRANSITION MOMENTS; FORCE-CONSTANTS; ELECTROOPTICS; INTENSITIES; SPECTRA;

D O I：

10.1134/S0030400X21070225

中图分类号：

O43 [光学];

学科分类号：

070207 ; 0803 ;

摘要：

Anharmonic corrections to the energy and dipole-moment matrix elements up to the second order are obtained for polyatomic molecules within the polynomials of quantum numbers formalism and the detailed calculation algorithm is reported. The results obtained for matrix elements of the fundamental transition are in good agreement with the data in the literature.

引用

页码：1045 / 1054

页数：10

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