Abstract
The present paper shows that the exchange energies of heteronuclear diatomics can be well fitted with simple analytical expressions. For heteronuclear diatomics with two atoms having large difference of ionization energies, the exchange energies can be closely fitted with − C R b e − 4R/(b + 2). In cases where the constituent atoms have similar ionization energies, − C R b e − 7R/(b + 1) fits the exchange energies very well. In addition, the parameter b, in general, can be well estimated with the atomic ionization energy.
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