aiida_vibroscopy.utils.spectra

Utility functions for plotting spectra.

Module Contents

Functions

boson_factor(→ float)	Return boson factor.
nanometer_to_cm(value)	Convert laser frequency from nm to cm^-1.
raman_prefactor(→ float)	Return the Raman prefactor.

aiida_vibroscopy.utils.spectra.boson_factor(frequency: float, temperature: float = 300) → float

Return boson factor.

Note

boson factor for Raman as (n+1).

Parameters:

• frequency – frequency in cm^-1

• temperature – temperature in Kelvin

Returns:

boson occupation factor (adimensional)

aiida_vibroscopy.utils.spectra.nanometer_to_cm(value: float)

Convert laser frequency from nm to cm^-1.

aiida_vibroscopy.utils.spectra.raman_prefactor(frequency: float, frequency_laser: float, temperature: float, absolute: bool = True) → float

Return the Raman prefactor.

Parameters:

• frequency – frequency in cm^-1

• frequency_laser – frequency in nm (nanometer)

• temperature – temperature in Kelvin

• absolute – whether to use the conversion factor for theoretical Raman cross-section, which gives the intensities in (sterad^-1 cm^-2), default to True

Returns:

the scalar \((\\omega_L-\\omega)^4 [n(\\omega,T)+1] / \\omega\)