most citedA multi-fragment real-time extension of projected density matrix embedding theory: Non-equilibrium electron dynamics in extended systems

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cond-mat.str-el2022★ 15 cited

A multi-fragment real-time extension of projected density matrix embedding theory: Non-equilibrium electron dynamics in extended systems

Dariia Yehorova, Joshua S. Kretchmer

In this work, we derive a multi-fragment real-time extension of projected density matrix embedding theory (pDMET) designed to treat non-equilibrium electron dynamics in strongly co…