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cond-mat.mtrl-sci2021
Quantum vibronic effects on the electronic properties of solid and molecular carbon
Arpan Kundu, Marco Govoni, Han Yang +3
We study the effect of quantum vibronic coupling on the electronic properties of carbon allotropes, including molecules and solids, by combining path integral first principles mole…
cond-mat.mtrl-sci2019★ 7 cited
Improving the efficiency of calculations with approximate spectral decompositions of dielectric matrices
Han Yang, Marco Govoni, Giulia Galli
Recently it was shown that the calculation of quasiparticle energies using the approximation can be performed without computing explicitly any virtual electronic states, b…