Related Experiment Video
Updated: Oct 4, 2026

ARL Spectral Fitting as an Application to Augment Spectral Data via Franck-Condon Lineshape Analysis and Color Analysis
Published on: August 19, 2021
Effective Residual Interaction Kernel Approach for Optical Spectra
Marc Aichner1,2, Matteo Gatti1,2,3, Lucia Reining1,2
1École Polytechnique, CEA, CNRS, LSI, /DRF/IRAMIS, Institut Polytechnique de Paris, F-91120 Palaiseau, France.
Abstract:
Excitonic effects dominate absorption and loss spectra in many materials. However, they are hard to access computationally, because of the cost of first-principles calculations and because of the scarce reliability of simple approximations. We overcome both limitations by combining a part of the electron-hole Bethe-Salpeter equation with an effective scalar interaction. The partitioning is motivated by the general form of the electron-hole interaction and it can be applied to all materials. First-principles calculations for prototypical semiconductors and insulators demonstrate a speedup of 1 to 2 orders of magnitude for results close to those where the full interaction matrix is used. The method is systematic and can be converged to the benchmark.
Related Concept Videos
IR Spectroscopy: Hooke's Law Approximation of Molecular Vibration
According to Hooke's law, the vibrational frequency is directly proportional to the...
Applications of IR Spectroscopy: Overview
Residuals and Least-Squares Property
If the observed data point lies above the line, the residual is positive, and the line underestimates the actual data value for y. If the observed data point lies below the line, the residual is negative, and the line overestimates the actual data value for y.
The process of fitting the best-fit...
¹H NMR: Interpreting Distorted and Overlapping Signals
As Δν decreases and the signals move closer, the doublets appear increasingly distorted. The intensities of the inner lines increase at the cost of those of the outer lines as the signals are slanted or...
Interaction of EM Radiation with Matter: Spectroscopy
Atomic Absorption Spectroscopy: Interference
Spectral interference occurs when signals from other elements or molecules overlap with the analyte signal, falsely elevating or masking the analyte's absorbance. This interference can be corrected using Zeeman,...

