Fractional Charges
Dear Colleagues:
Is it possible in GAUSSIAN to calculate atoms nuclear charges? For example:
F(-1/3),
where the the monatomic system is X and the charge is Z so the ground state
is F(0) (in the above case)?
If it cannot can you recommend a pacakge that will?
Best Wishes;
Abraham F. Jalbout
Department of Chemistry
University of New Orleans