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Phonon self-energy corrections: To screen, or not to screen
First-principles calculations of phonons are often based on the adiabatic approximation and
on Brillouin-zone samplings that might not always be sufficient to capture the subtleties of …
on Brillouin-zone samplings that might not always be sufficient to capture the subtleties of …
Nonadiabatic exciton-phonon coupling in Raman spectroscopy of layered materials
We present an ab initio computational approach for the calculation of resonant Raman
intensities, including both excitonic and nonadiabatic effects. Our diagrammatic approach …
intensities, including both excitonic and nonadiabatic effects. Our diagrammatic approach …
Theory of resonant Raman scattering: Towards a comprehensive ab initio description
We develop a general, fully quantum mechanical theory of Raman scattering from first
principles in terms of many-body correlation functions. In order to arrive at expressions that …
principles in terms of many-body correlation functions. In order to arrive at expressions that …
First-principles approaches to the description of indirect absorption and luminescence spectroscopy: exciton-phonon coupling in hexagonal boron nitride
F Paleari - 2019 - orbilu.uni.lu
The development of novel optoelectronic applications crucially depends on the detailed
understanding of light--matter interaction in the candidate materials. From a theoretical point …
understanding of light--matter interaction in the candidate materials. From a theoretical point …
Symmetry-dependent dielectric screening of optical phonons in monolayer graphene
Quantised lattice vibrations (ie, phonons) in solids are robust and unambiguous fingerprints
of crystal structures and of their symmetry properties. In metals and semimetals, strong …
of crystal structures and of their symmetry properties. In metals and semimetals, strong …
Electron--phonon interaction without overscreening: a strategy for first--principles modelling
F Paleari, A Marini - arxiv preprint arxiv:2105.09828, 2021 - arxiv.org
State-of-the-art approaches to calculate the electron-phonon and the phonon-electron self-
energy are based on a mean-field approximation for the interacting electronic system. This …
energy are based on a mean-field approximation for the interacting electronic system. This …