Computer simulation of the total energy and the shielding function of a carbon molecule in the first order of perturbation theory

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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.

Sobre autores

V. Koshcheev

National Research University (Moscow Aviation Institute), Strela Branch

Autor responsável pela correspondência
Email: koshcheev1@yandex.ru
Rússia, Zhukovsky, 140180

Yu. Shtanov

Tyumen Industrial University, Surgut Branch

Email: koshcheev1@yandex.ru
Rússia, Surgut, 628404

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