A Python program to fit dielectric spectra data with an arbitrary number of Debye, damped oscillator, and other lineshape functions
Python
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EpsLT.py
README.md
SiegelStein_data.py
Siegelstein.RI
epsL_epsT.py
fit_Raman_IR_dielectric.py
fit_dielectric_spectrum_from_file.py
fit_dielectric_spectrum_transverse_test.py
kw.py
spectral_deconvolution.py
spectrum_fitter.py

README.md

"Spectrum Fitter" 2015 Daniel C. Elton

The module spectrum_fitter.py provides an obect-oriented framework for fitting dielectric spectra.

The fitting is performed with the constraint of the f-sum rule.

The longitudinal dielectric function can also be fit with minor modification of the code. Plots of the longitudinal fit and data (1 - 1/eps(omega)) are provided as an additional way to check the fit.

An example of how to use spectrum_fitter.py is given in "fit_dielectric_spectrum_transverse_test.py" using the refractive index data compiled by Sigelstein, which can be found in the file "Siegelstein.RI"

There are a few additional python scripts included in this git: -- epsL_epsT.py - plots dielectric functions, etc -- EpsLT.py - plots dielectric functions from index of refraction data at a variety of temperatures and attempts to locate peak maxima and park them with a line -- kw.py - code for calculating k-dependent susceptibilities from k-dependent polarization-polarization correlation function data

The MIT License (MIT)

Copyright (c) 2015 Daniel C. Elton

Permission is hereby granted, free of charge, to any person obtaining a copy of this software and associated documentation files (the "Software"), to deal in the Software without restriction, including without limitation the rights to use, copy, modify, merge, publish, distribute, sublicense, and/or sell copies of the Software, and to permit persons to whom the Software is furnished to do so, subject to the following conditions:

The above copyright notice and this permission notice shall be included in all copies or substantial portions of the Software.

THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN THE SOFTWARE.