Lorentzian¶

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

Lorentzian function on domain, centered at x_0 with broadening gamma.

Parameters:

domain (Union[ndarray, List[float]]) – The domain of the Lorentzian profile.
gamma (Callable[[float], float]) – Broadening parameter. This is the full width at half maximum (FWHM).

Notes

Use this profile to model homogeneous broadening.

Attributes Summary

`domain`
`gamma`

Methods Summary

`lineshape`(x_0)	Lorentzian function on `Lineshape.domain`, centered at x_0 with broadening `Lineshape.gamma`.
`maximum`(x_0)	Maximum value of Lorentzian profile centered at x_0.

Attributes Documentation

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

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

Methods Documentation

lineshape(x_0)[source]¶

Lorentzian function on Lineshape.domain, centered at x_0 with broadening Lineshape.gamma.

Parameters:: x_0 (float) – Center of the Lorentzian, i.e. its maximum.
Returns:: The Lorentzian profile.
Return type:: numpy.ndarray

maximum(x_0)[source]¶

Maximum value of Lorentzian profile centered at x_0.

Parameters:: x_0 (float) – Center of the Lorentzian, i.e. its maximum.
Return type:: float