Gaussian

class psi4.driver.p4util.Gaussian(domain, gamma)

Bases: Lineshape

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

Parameters:

• domain (Union[ndarray, List[float]]) – The domain of the Gaussian profile.

• gamma (Callable[[float], float]) – Broadening parameter. This is related to the full width at half maximum as \(\mathrm{FWHM} = \gamma \sqrt{2\ln 2}\)

Notes

Use this profile to model inhomegenous broadening.

Methods Summary

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

Methods Documentation

lineshape(x_0)

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

Parameters:

x_0 (float) – Center of the Gaussian, i.e. its maximum.

Returns:

The Gaussian profile.

Return type:

numpy.ndarray

maximum(x_0)

Maximum value of Gaussian profile centered at x_0. :rtype: float

Parameters:

x_0 (float) – Center of the Lorentzian, i.e. its maximum.

Return type:

float