A momentum-projected variational wavefunction with low-rank electron-phonon factorization yields a scalable, translationally invariant method for computing polaron binding energies and band structures in the thermodynamic limit.
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An intrinsic photon-energy-independent electronic line shape convolved with a phonon recoil kernel reproduces the measured asymmetric C 1s spectra and centroid shifts in graphene from 0.8 keV to 8 keV.
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A Scalable Translationally Invariant Variational Theory of Ab Initio Polarons
A momentum-projected variational wavefunction with low-rank electron-phonon factorization yields a scalable, translationally invariant method for computing polaron binding energies and band structures in the thermodynamic limit.
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Graphene lattice recoil in hard X-ray photoemission: Experiment and Theory
An intrinsic photon-energy-independent electronic line shape convolved with a phonon recoil kernel reproduces the measured asymmetric C 1s spectra and centroid shifts in graphene from 0.8 keV to 8 keV.