499 citations · 1.4k across the 25 of their papers we have counts for
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cond-mat.mtrl-sci2015
Same-spin dynamical correlation effects on the electron localization
Stefano Pittalis, Alain Delgado, Carlo Andrea Rozzi
The Electron Localization Function (ELF) -- as proposed originally by Becke and Edgecombe -- has been widely adopted as a descriptor of atomic shells and covalent bonds. The ELF ta…
cond-mat.mtrl-sci2015★ 13 cited
Modeling solvation effects in real-space and real-time within Density Functional Approaches
Alain Delgado, Stefano Corni, Stefano Pittalis +1
The Polarizable Continuum Model (PCM) can be used in conjunction with Density Functional Theory (DFT) and its time-dependent extension (TDDFT) to simulate the electronic and optica…