116 citations · 203 across the 2 of their papers we have counts for
2 papers
physics.chem-ph2012★ 116 cited
Density functional theory embedding for correlated wavefunctions: Improved methods for open-shell systems and transition metal complexes
Jason D. Goodpaster, Taylor A. Barnes, Frederick R. Manby +1
Density functional theory (DFT) embedding provides a formally exact framework for interfacing correlated wave-function theory (WFT) methods with lower-level descriptions of electro…
cond-mat.other2011★ 87 cited
Embedded density functional theory for covalently bonded and strongly interacting subsystems
Jason D. Goodpaster, Taylor A. Barnes, Thomas F. Miller
Embedded density functional theory (e-DFT) is used to describe the electronic structure of strongly interacting molecular subsystems. We present a general implementation of the Exa…