sf.apps.plot.spectrum

spectrum(energies, gamma=100.0, xmin=None, xmax=None)[source]

Plots a vibronic spectrum based on input sampled energies.

Example usage:

>>> formic = data.Formic()
>>> e = vibronic.energies(formic, formic.w, formic.wp)
>>> full_spectrum = plot.spectrum(e, xmin=-1000, xmax=8000)
>>> full_spectrum.show()
../../_images/formic_spectrum.png
Parameters
  • energies (list[float]) – a list of sampled energies

  • gamma (float) – parameter specifying the width of the Lorentzian function

  • xmin (float) – minimum limit of the x axis

  • xmax (float) – maximum limit of the x axis

Returns

spectrum in the form of a histogram of energies with a Lorentzian-like curve

Return type

Figure