Computer simulation of the total energy and the shielding function of a carbon molecule in the first order of perturbation theory
Year: 2024
Type: article
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.
Authors: V. P. Koshcheev, Yu. N. Shtanov
Institutions: Moscow Aviation Institute, Industrial University of Tyumen
Language: English
Subfield: Atomic and Molecular Physics, and Optics
Field: Physics and Astronomy
Domain: Physical Sciences
Open Access status: bronze
OpenAlex ID: W4404737567