A Collection of Packages Developed in Chan Group

Quantum Chemistry:

• PySCF: The Python-based Simulations of Chemistry Framework
• ctfccsd: Using CTF to parallelize CCSD and kCCSD code
• wick: Symbolic Manipulation of Operator Strings for Quantum Chemistry Appliciations
• gen_epcc: Electron-phonon coupled cluster equations
• fted: Finite Temperature Exact Diagonalization

Tensor Network:

• quimb: Quantum Circuit and Tensor Network Development Library
• symtensor: An Implementation of Cyclic Group Symmetric Tensors
• cyclopeps: An implementation of common algorithms for Projected Entangled Pair States (PEPS) using Cyclops Tensor Framework (CTF)

Quantum Embedding:

• libdmet: A Density Matrix Embedding Theory Library
• potato: A Dynamical Mean-Field Theory Library

Density Matrix Renormalization Group:

• Block: Density Matrix Renormalization Group Algorithms for Quantum Chemistry
• Block2: MPO Implementation of Ab Initio DMRG
• pyBlock3: An Efficient python MPS/DMRG Library
• ZMPO-DMRG: A Parallel Fock-Space ab DMRG code based on MPO for Quantum Chemistry Hamiltonian
• PyDMRG: A relatively simple implementation, in Python, of the DMRG algorithm using the MPS framework