Lineshape¶

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

Bases: object

Lineshape ABC

Parameters:

domain (ndarray | List[float]) –
gamma (Callable[[float], float]) –

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)

rtype:: ndarray

maximum(x_0)

rtype:: float

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) –