I
thought that ‘response function’ referred simply to the electronic
response to some perturbation. For example, the perturbation could be geometric,
which gives you vibrational frequencies. Or magnetic, which gives you NMR
shifts. The Fukui function is the response of the charge density to a change in
the occupation of the frontier orbitals. Is that the sort of information
you’re looking for? George
Fitzgerald, Ph.D. George.Fitzgerald__accelrys.com Advisory
Scientist Accelrys,
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[mailto:owner-chemistry+gfitzgerald==accelrys.com__ccl.net] On Behalf Of
partha sengupta anapspsmo*gmail.com Friends, How response function relates the chemical reactivity
indexes foor a reactio? Is there any relation between Fukui function and
Response function |