density-matrix-embedding-theory

There are 2 repositories under density-matrix-embedding-theory topic.

  • gkclab/libdmet_preview

    A library of density matrix embedding theory (DMET).

    Language:Python323918

  • iris-theof/DMET_SCF_appendix

    In this project includes the code that supports our findings for the paper "Approximations based on density-matrix embedding theory for density-functional theories" https://arxiv.org/abs/2103.02027 .

    Language:Jupyter Notebook3101