This is a little script that adds several Gaussian or Lorentzian functions with the appropriate full width at half max and height to generate and plot a spectrum. The input is an array containing frequency vs oscillator strength, desired fwhm of the peaks and method for generating the spectrum. This is very useful to use with quantum chemistry computational programs.
Carlos Baiz (2020). Generate Spectrum (https://www.mathworks.com/matlabcentral/fileexchange/14402-generate-spectrum), MATLAB Central File Exchange. Retrieved .
Will post documentation soon.
Its good. Can someone help me to provide DFT program for quantum coputational.
Due to the lack of documentation (such as: explain input and output arguments) it would be difficult for someone to use this code and have confidence that correct results are obtained.