Regularities in the behavior of dipole moment functions of diatomic molecules at very small internuclear separations

摘要

A theoretical approach to calculating the dipole moment function of a diatomic molecule at very small internuclear separations has been suggested. The approach is based on the united-atom model and the LS-coupling approximation. Regularities in the behavior of the dipole moments as functions of the internuclear separation, electronic state, and nuclear charge of the molecule have been found. Within the approach, the dipole moment functions of some diatomic molecules, whose united atoms are in groups II, IV, V, VII, and VIII of periods 1-4 of the periodic table, were calculated.