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《Journal of Anhui Normal University(Natural Science)》 1991-04
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The Theoretical Study of Hund's Rule

Ni Shenkuan (Department of Chemistry)  
The traditional explanation for Hund's rules uses first order perturbation theory and assumes that a singlet minus triplet energy difference △E equals the difference in electron repulsion energy △(Vce), namely, The lowering of the total energy is ontirely due to the lowering of the electron repulsion energy. This is a misinterpretation. Actually, due to the contraction of the orbital, the state with lower energy in a multiplet has the larger electron repulsion energy but also by far the most negative electron-nuclear attraction enery. It is the electron nuclear attraction that dominates the energy behaviour in a multiplet and not the electron repulsion.
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