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Quantitative analysis of valence photoemission spectra and quasiparticle excitations at chromophore-semiconductor interfaces
Christopher E. Patrick, Feliciano Giustino
Investigating quasiparticle excitations of molecules on surfaces through photoemission spectroscopy forms a major part of nanotechnology research. Resolving spectral features at th…
Unified theory of electron-phonon renormalization and phonon-assisted optical absorption
Christopher E. Patrick, Feliciano Giustino
We present a theory of electronic excitation energies and optical absorption spectra which incorporates energy-level renormalization and phonon-assisted optical absorption within a…
GW quasiparticle bandgaps of anatase TiO2 starting from DFT+U
Christopher E. Patrick, Feliciano Giustino
We investigate the quasiparticle band structure of anatase TiO2, a wide gap semiconductor widely employed in photovoltaics and photocatalysis. We obtain GW quasiparticle energies s…