/tools/dmrgscf

dmrgscf

pyscf/dmrgscf

GitHub
simulationtoolquantum-chemistry
15 stars9 forksPythonAdded February 8, 2026
summary

The dmrgscf repository provides an interface for using DMRG and DMRGSCF methods as solvers for CASSCF calculations in quantum chemistry. It allows users to perform advanced molecular simulations and analyze electronic structures of molecules.

description

DMRG and DMRGSCF

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