Vacuum level for charged systems
Nuri Yazdani
nuri.a.... at gmail.com
Thu Feb 2 12:42:06 UTC 2017
A quick addition.. One thing I was thinking of doing was to use the energy
of the deepest (lowest energy) states from the two calculations as an
approximation to the difference in the reference levels. There are 543
occupied molecular orbitals in my system, and the difference in energy from
the HOMO to the deepest is 16eV. Would this in general be a reasonable
assumption?
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