vibinabraham / jwcas

Stand alone code for doing the Jordan Wigner transformation to map the fermionic Hamiltonian to qubit Hamiltonian and then do CAS-CI in the space.

Geek Repo:Geek Repo

Github PK Tool:Github PK Tool

CAS-CI with Jordan Wigner Transformation

Requires pyscf to get the integrals.

About

Stand alone code for doing the Jordan Wigner transformation to map the fermionic Hamiltonian to qubit Hamiltonian and then do CAS-CI in the space.


Languages

Language:Python 100.0%