Dear PYSCF developers,

I had a question about using localized orbitals as input in a CCSD calculation. When using the localized orbital (rotation amongst occupied-occupied and virtual-virtual orbitals) basis the Fock matrix is not diagonal. So does the CC code implementation takes care of these off-diagonal Fock matrix elements ? The CCSD energy should in principle be invariant to unitary rotations among occupied and/or virtual orbitals.

Thank you for your help.

Souloke