[DFTB-Plus-User] TD-DFTB

Andrea Pedrielli andrea.pedrielli at unitn.it
Thu Jan 19 15:37:01 CET 2017

Dear users,
we are trying to compute the absorption spectra of core-shell SiC-SiO2
nanowires. We have the periodicity along the longitudinal direction and we
suppose that there could be a charge transfer between the shell and the
core. From the manual (footnote 5 pag 46) it seems that this kind of
problem is not tractable within current DFTB+ code implementation (1.3
Version). Is it true? Have you got any ideas about how we could treat this

Thank you in advance,

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