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20172025
most citedCP2K: An Electronic Structure and Molecular Dynamics Software Package -- Quickstep: Efficient and Accurate Electronic Structure Calculations

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physics.chem-ph2018★ 22 cited

A quantum embedding theory in the screened Coulomb interaction: Combining configuration interaction with GW/BSE

Marc Dvorak, Dorothea Golze, Patrick Rinke

We present a new quantum embedding theory called dynamical configuration interaction (DCI) that combines wave function and Green's function theories. DCI captures static correlatio…