Вiрiальнi коефiцiєнти потенцiалу Морзе

Using the numerical quadrature integration method and a modification of the Mayer sampling Monte Carlo technique proposed recently, the virial coefficients of the known three-parameter Morse potential have been calculated to the seventh order inclusive for potential parameter, aD, values of 3.0, 4.0...

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Збережено в:
Бібліографічні деталі
Дата:2019
Автори: Ushcats, M. V., Ushcats, S. J., Mochalov, A. A.
Формат: Стаття
Мова:English
Ukrainian
Опубліковано: Publishing house "Academperiodika" 2019
Теми:
Онлайн доступ:https://ujp.bitp.kiev.ua/index.php/ujp/article/view/2019118
Теги: Додати тег
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Назва журналу:Ukrainian Journal of Physics

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Ukrainian Journal of Physics
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Резюме:Using the numerical quadrature integration method and a modification of the Mayer sampling Monte Carlo technique proposed recently, the virial coefficients of the known three-parameter Morse potential have been calculated to the seventh order inclusive for potential parameter, aD, values of 3.0, 4.0, 6.0, 8.0, and 10.0. At low temperatures, a certain regularity in the behavior of the virial coefficients of all orders (beginning from the third one) is revealed for various aD-values. This regularity can be approximated by an equation similar to that previously obtained for the Lennard-Jones (12–6) and modified Lennard-Jones models.