Theoretical advances in resonance Raman spectroscopy of solids
Journal
Applied Physics Express
Journal Volume
19
Journal Issue
1
Start Page
010104
ISSN
18820778
Date Issued
2026-01-01
Author(s)
Abstract
In this review, we summarize recent progress in the first-principles calculation of resonant Raman spectra in solids. We begin by describing methods for computing Raman spectra using tight-binding and plane-wave approaches. We then review our recent software packages, QERaman and QR2 -code, and compare their capabilities with other existing tools such as electron–phonon Wannier interpolation over k- and q-points. Finally, we discuss future perspectives for computational approaches to Raman spectroscopy.
Subjects
first principles calculation
QERaman
QR2-code
quantum ESPRESSO
resonant Raman spectroscopy
Publisher
Institute of Physics
Type
review article