2021/12/13 by В. П. Кощеев, Koshcheev, V. P., Yu. N. Shtanov +1
Physics and Astronomy · #Atomic and Molecular Physics #FOS: Physical sciences #Mesoscale and Nanoscale Physics (cond-mat.mes-hall) #Optical properties and cooling technologies in crystalline materials #Quantum Mechanics and Non-Hermitian Physics
paper · pdf · doi:10.48550/arxiv.2112.07372
openalex publication_date 2021/12/13 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/28
In the first order of perturbation theory, the total energy of a diatomic molecule in the ground state is calculated taking into account the Pauli principle and plasma oscillations of atomic electrons. The Fourier component of the potential energy of interaction of an atom with an atom has the form of a polynomial of the fourth degree of the atomic form factor. Numerical calculation is performed for the atomic form factor in the approximation of hydrogen-like wave functions, which approximate the solution of the Hartree-Fock equation for an isolated atom. It is shown that taking into account the plasma oscillations of atomic electrons leads to a self-consistent system of equations, the numerical solution of which makes it possible to determine the elastic constant, that is, the value of the second derivative at the minimum of the potential energy of the molecule. The total energy for nitrogen and fluorine molecules is calculated.