search

lacourjansenlab / NISE_2017

This is the current development version of a quantum classical package for calculating coherent multidimensional spectra (as FTIR, SFG, 2DIR, 2DES, 2DSFG, and F-2DES).
Other
1 stars 2 forks source link

We want to add a simple vibrionic progression in the Fourier transform #55

Open GHlacour opened 5 months ago

GHlacour commented 5 months ago

Is your feature request related to a problem? Please describe. We would like to add a convolution of the line shape with a vibrionic progression for doing the Fourier transforms

Describe the solution you'd like The user should provide a Huang-Rhys factor and a frequency and the response function is multiplied with the line shape function before the Fourier transform

Describe alternatives you've considered None

GHlacour commented 5 months ago

It may actually be better to allow the user to provide a lineshape function file to include. This allow the user to do any progression wanted.