Jupyter Notebook https://jupyter.org/install is the only prerequisit to run the project.
We explicitly show the mathematical ingredients of the Density Matrix Embedding Method with the example of a non-interacting Hamiltonians on only few sites. Specifically, we thoroughly investigate the projection, which is one of the main ingredients in DMET, and its properties in different spaces. We will show under which conditions this projection does or does not have a unique fixed point. The calculations presented are cheap and can be run on a laptop, as they are meant to be pedagogical and not for investigating realistic systems.
In this project we include two Jupyter Notebooks; one for the calculations presented in Supplemental I and one for Supplemental II of our paper "Approximations based on density-matrix embedding theory for density-functional theory" https://arxiv.org/abs/2103.02027.
In the Jupyter Notebooks we explain step by step what is calculated with python including equations in latex and text.
In this project Dr. Michael Ruggenthaler and Dr. Teresa Reinhard have collaborated.