marickmanrho / linabsspec

Calculates linear absorption spectrum

Linear Absorption Spectrum (libabsspec)

This package will calculate the linear absorption spectrum of a given set of EigenEnergies and Oscillator strengths. Linewidth can be provided optionally.

Developed at the University of Groningen in the Theory of Condensed Matter group.
Author: Marick Manrho (PhD candidate)

Installation

Run pip install . to install linabsspec and dependencies.

Usage

The Linear Absorption Spectrum is calculated by calling Absorption().

Absorption(E,Mu,Type = "gaus",gamma = 0.000001,nSp = 1000,Write=False,Show=False,Filename = "Demo")

Variable	Description	Type
E	EigenEnergies of Hamiltonian	Vector
Mu	Oscillator strength of EigenEnergies	Vector
Type	The type of line broadening, "gaus" is currently the only supported lineshape.	String
gamma	Linewidth per EigenEnergy. If scalar is given the same value is used for each EigenEnergy.	Vector / Scalar
nSp	Number of Spectral points	Scalar
Write	Write to file	Bolean
Show	Show a plot of absorption	Bolean
Filename	Filename	String
overwrite	Overwrite file if it already exists	Bolean

Dependencies

This package depends on the following packages:

• numpy
• os
• system
• matplotlib

Contact info & support

When you encounter faulty code, please create an issue on GitHub. Feel free to ask questions via email to [email protected].