Simulation of the Electronic Terms of Diatomic Molecules.

Autor: Koshcheev, V. P., Shtanov, Yu. N.
Zdroj: Journal of Surface Investigation: X-Ray, Synchrotron & Neutron Techniques; Feb2022, Vol. 16 Issue 1, p186-189, 4p
Abstrakt: In first-order perturbation theory, the correction to electronic terms (potential energy of interaction between atoms) in a diatomic molecule is calculated taking into account the Pauli principle. The condition for the applicability of the correction in first-order perturbation theory to the energy of the system in the unperturbed state is considered. The electronic terms for the diatomic molecule (dimer) HF and HNe are calculated in first-order perturbation theory. Satisfactory agreement with the experimental results is observed for a diatomic molecule. [ABSTRACT FROM AUTHOR]
Databáze: Complementary Index