From 7b840fadd81b24b6ff24f70e58ae3ea9425bd6d9 Mon Sep 17 00:00:00 2001 From: Amir Mirzanejad <aqm6884@psu.edu> Date: Fri, 8 Sep 2023 12:39:22 -0400 Subject: [PATCH] Update README.md --- README.md | 5 +++-- 1 file changed, 3 insertions(+), 2 deletions(-) diff --git a/README.md b/README.md index 8f8bae8..4b4cd13 100644 --- a/README.md +++ b/README.md @@ -1,4 +1,3 @@ - # Contents This repo contains input files, scripts and data necessary to reproduce the figures and findings discussed in @@ -11,5 +10,7 @@ To run the exact diagonalization calculations TRIQS is required (https://triqs.g The plotting is done via matplotlib and plotly. # Notebooks -The notebook HubbardModelTriqs.ipynb uses TRIQS to diagonalize the many-electron Hamiltonian in Eq. 2. +The notebook _HubbardModelTriqs.ipynb_ uses TRIQS to diagonalize the many-electron Hamiltonian in Eq. 2. Natural orbital occupation numbers and the energies of the lowest three singlets are saved and can be plotted via the plotting notebooks. + +The notebook _Plotly_plots.ipynb_ can be used to reproduce Figures 2 and 4(B). For Figures 5(C) and 6, use the notebook _PES_of_Hamiltonian.ipynb_, and for Figure 6(A) use the nootebook _NOON.ipynb_. -- GitLab