89 citations · 759 across the 34 of their papers we have counts for
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cond-mat.mtrl-sci2014★ 49 cited
Periodic Subsystem Density-Functional Theory
Alessandro Genova, Davide Ceresoli, Michele Pavanello
By partitioning the electron density into subsystem contributions, the Frozen Density Embedding (FDE) formulation of subsystem DFT has recently emerged as a powerful tool for reduc…
physics.chem-ph2014★ 23 cited
FDE-vdW: A van der Waals Inclusive Subsystem Density-Functional Theory
Ruslan Kevorkyants, Henk Eshuis, Michele Pavanello
We present a formally exact van der Waals inclusive electronic structure theory, called FDE-vdW, based on the Frozen Density Embedding formulation of subsystem Density-Functional T…