On the Method of Correct Determination of Eigenvalues of a Truncated Hamiltonian Matrix on the Example of a Morse Oscillator; Russian Physics Journal; Vol. 63, iss. 9

On the Method of Correct Determination of Eigenvalues of a Truncated Hamiltonian Matrix on the Example of a Morse Oscillator; Russian Physics Journal; Vol. 63, iss. 9

Dades bibliogràfiques
Parent link:	Russian Physics Journal Vol. 63, iss. 9.— 2021.— [P. 1639-1645]
Autor corporatiu:	Национальный исследовательский Томский политехнический университет Инженерная школа ядерных технологий Отделение экспериментальной физики, Национальный исследовательский Томский политехнический университет Исследовательская школа физики высокоэнергетических процессов
Altres autors:	Bekhtereva E. S. Elena Sergeevna, Gromova O. V. Olga Vasilievna, Glushkov P. A. Petr Alekseevich, Belova A. S. Anastasiya Sergeevna
Sumari:	Title screen A method of precise determination of the eigenvalues of energies of the molecular Hamiltonian based on high-order perturbation theory has been developed and implemented for a diatomic molecule. The proposed method makes it possible not only to obtain the energy values, but also to estimate the accuracy of their prediction and the applicability limits for the employed model. Numerical calculations have been performed for the extended Morse oscillator with corrections for the potential functions up to the sixth power of the Morse coordinate. The results obtained are compared with the results of calculation for the model of the truncated Hamiltonian matrix. The possibilities of application of the method are analyzed compared to other approaches to the determination of the potential functions for polyatomic molecules. Режим доступа: по договору с организацией-держателем ресурса
Idioma:	anglès
Publicat:	2021
Matèries:	электронный ресурс труды учёных ТПУ intramolecular potential function Morse oscillator eigenvalues of the molecular Hamiltonian
Accés en línia:	https://doi.org/10.1007/s11182-021-02216-6
Format:	Electrònic Capítol de llibre
KOHA link:	https://koha.lib.tpu.ru/cgi-bin/koha/opac-detail.pl?biblionumber=663560

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