Lineshape¶

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

Bases: object

Lineshape ABC

Notes

domain – Domain of the spectral band. gamma – A function returning the broadening factor. 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.

Attributes Summary

`domain`
`gamma`

Methods Summary

`lineshape`(x_0)
`maximum`(x_0)

Attributes Documentation

Parameters:

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

domain: Union[ndarray, List[float]] = <dataclasses._MISSING_TYPE object>¶

gamma: Callable[[float], float] = <dataclasses._MISSING_TYPE object>¶

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)