Excitation energies through Becke’s exciton model within a Cartesian-grid KS DFT
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DOI: 10.1007/s00214-020-02699-5
Abstract: Photon-induced electronic excitations are ubiquitously observed in organic chromophore. In this context, we present a simple, alternative time-independent DFT procedure, for the computation of single-particle excitation energies, in particular, the lower bound excited singlet states,… read more here.
Keywords: becke exciton; exciton model; excitation; within cartesian ... See more keywords