42 citations · 98 across the 3 of their papers we have counts for
5 papers
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…
Density-matrix embedding theory study of the one-dimensional Hubbard-Holstein model
Teresa E. Reinhard, Uliana Mordovina, Claudius Hubig +5
We present a density-matrix embedding theory (DMET) study of the one-dimensional Hubbard-Holstein model, which is paradigmatic for the interplay of electron-electron and electron-p…
The fate of atomic spin in atomic scattering off surfaces
Joshua S. Kretchmer, Garnet Kin-Lic Chan
We explore model electron dynamics of an atom scattering off a surface within the time-dependent complete active space self consistent field (TD-CASSCF) approximation. We focus esp…
A real-time extension of density matrix embedding theory for non-equilibrium electron dynamics
Joshua S. Kretchmer, Garnet Kin-Lic Chan
We introduce real-time density matrix embedding theory (DMET), a dynamical quantum embedding theory for computing non-equilibrium electron dynamics in strongly correlated systems.…
Cluster size convergence of the density matrix embedding theory and its dynamical cluster formulation: a study with an auxiliary-field quantum Monte Carlo solver
Bo-Xiao Zheng, Joshua S. Kretchmer, Hao Shi +2
We investigate the cluster size convergence of the energy and observables using two forms of density matrix embedding theory (DMET): the original cluster form (CDMET) and a new for…