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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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| Main Authors: | , , |
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| Format: | Article |
| Language: | English Ukrainian |
| Published: |
Publishing house "Academperiodika"
2019
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| Subjects: | |
| Online Access: | https://ujp.bitp.kiev.ua/index.php/ujp/article/view/2019118 |
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| Summary: | 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. |
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