화학공학소재연구정보센터
Journal of Physical Chemistry, Vol.100, No.35, 14651-14654, 1996
On the Stability of Half-Filled Shells
A direct relationship between a generalized Fukui function and charge redistribution between states of different multiplicities is exploited to rationalize the stability of half-filled shells. This rationalization is in agreement with the idea introduced by Boyd (Boyd, R. J. Nature 1984, 310, 480) that Hund’s rule is a consequence of Fermi correlation.