search

TRIQS / triqs

a Toolbox for Research on Interacting Quantum Systems
https://triqs.github.io
GNU General Public License v3.0
139 stars 72 forks source link

Added the sympyfy function alongside its necessary dependencies #896

Closed Collins-kariuk closed 1 year ago

Collins-kariuk commented 1 year ago

The sympyfy function outputs a reduced analytical or numerical Hamiltonian in momentum space utilizing the Fourier series. The input of this function is a TRIQS tight-binding model that one can get from converting their model from either a Wannier90 model or PythTB model using TRIQS's handy function that enables said conversion.

This function has been tested on 2 compounds with different symmetries. These compounds include a Strontium compound (SrCaCu2O4) and a Palladium compound (PdCoO2). This function mainly follows from the equation in the attached screenshot. This function will help anyone, especially experimentalists, better understand their results in the tight-binding model landscape by visualizing a reduced analytical expression (and a numerical expression should they wish). Tight-Binding Hamiltonian in Momentum-Space from Real Space using the Fourier Series

Collins-kariuk commented 1 year ago

Olivier, Sophie, and I thought it best if I create a new branch, make the necessary changes to utils.py within that branch, and make a pull request from my branch to the upstream unstable branch. So I am going to close this pull request.