We developed a CASSCF solver for density matrix embedding theory and the localized active space SCF, LASSCF method that iteratively optimizes active space wave functions localized in different fragments of molecular systems. The overall wave function is the product of the localized wave functions. We have also developed a periodic density matrix embedding theory, pDMET.
Download and documentation:
H. Q. Pham, M. R. Hermes, L. Gagliardi; Periodic Electronic Structure Calculations with the Density Matrix Embedding Theory, J. Chem. Theory Comput. 2020, 16, 1, 130–140.