Lorentzian

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

Bases: Lineshape

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

Parameters:
  • domain (Union[numpy.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.

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.

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