I will report our advancements in using density matrix embedding theory (DMET) in combination with multireference solvers and its application to realistic models of strongly-correlated systems. We have developed a generalization of DMET to use a multiconfigurational wave function as a bath, by dividing the active space into unentangled active subspaces each localized to one fragment. We refer to this kind of wave function as localized active space (LAS). Applications of the method to strongly correlated systems will be discussed.

Density matrix embedding theory with multi-reference solvers for extended systems

2019 Fall National Meeting

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