Lineshape

class psi4.driver.p4util.Lineshape(domain, gamma)[source]

Bases: object

Lineshape ABC

Parameters:
domain

Domain of the spectral band.

gamma

A function returning the broadening factor.

Notes

Why do we use a callable broadening factor? For plots in the wavelength domain, the broadening factor depends on the location of the band’s maximum.

Methods Summary

lineshape(x_0)

maximum(x_0)

Methods Documentation

abstract lineshape(x_0)[source]
Return type:

ndarray

Parameters:

x_0 (float)

abstract maximum(x_0)[source]
Return type:

float

Parameters:

x_0 (float)