Hi all:
I am doing phtoemission study for the molecular of Ce@C82. I am particulary interested in the photoemission (phtoionization) of Ce inside C82. The ionization potential for 4d of Ce is high near 100 eV. So I like to study photoemission of Ce@C82 at energy range 100-150 eV. From GW tutorial 2 we can calculate spectra function, which is almost same as photoemission. But I am not suite whether we can reach 100 eV. If my band does not reach that energy. I do not think calculation can add another 100 empty bands. Has anyone had any ideal?
Zhifan Chen
Clark Atlanta University
USA
photoemission
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