Block2: MPO Implementation of Ab Initio DMRG

Package: https://github.com/block-hczhai/block2-preview

Block2 implements the ab initio DMRG algorithm in MPO and MPS language, with a more flexible code structure. Some important additional features are:

1. Finite-Temperature ab inito DMRG

2. One particle Green’s function

3. Five-Level parallelism

Reference: Huanchen Zhai and Garnet Kin-Lic Chan. “Low communication high performance ab initio density matrix renormalization group algorithms.” arXiv preprint arXiv:2103.09976 (2021).