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Computer simulation of the total energy and the shielding function of a carbon molecule in the first order of perturbation theory
- Authors: Koshcheev V.P.1, Shtanov Y.N.2
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Affiliations:
- National Research University (Moscow Aviation Institute), Strela Branch
- Tyumen Industrial University, Surgut Branch
- Issue: Vol 88, No 4 (2024)
- Pages: 524-530
- Section: Ion-Surface Interactions
- URL: https://journal-vniispk.ru/0367-6765/article/view/271420
- DOI: https://doi.org/10.31857/S0367676524040013
- EDN: https://elibrary.ru/QJAJSF
- ID: 271420
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Abstract
Within the framework of a new approach to the problem of calculating the total energy of a diatomic molecule in the first order of perturbation theory, it is shown that the potential energy screening function is a solution to a diffusion-type equation in which the role of a time variable is played by the average square of the amplitude of collective oscillations of electrons per one degree of freedom. The total energy of two carbon atoms in the ground and excited states is calculated.
About the authors
V. P. Koshcheev
National Research University (Moscow Aviation Institute), Strela Branch
Author for correspondence.
Email: koshcheev1@yandex.ru
Russian Federation, Zhukovsky, 140180
Yu. N. Shtanov
Tyumen Industrial University, Surgut Branch
Email: koshcheev1@yandex.ru
Russian Federation, Surgut, 628404
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