432 citations · 1.9k across the 50 of their papers we have counts for
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On the exact treatment of Time Dependent Self-Interaction Correction
J. Messud, P. M. Dinh, P. -G. Reinhard +1
We present a new formulation of the time-dependent self-interaction correction (TDSIC). It is derived variationally obeying explicitly the constraints on orthonormality of the occu…
Deposition dynamics of Na monomers and dimers on an Ar(001) substrate
P. M. Dinh, F. Fehrer, P. -G. Reinhard +1
We study deposition dynamics of Na and Na on an Ar substrate, both species neutral as well as charged. The system is modeled by a hierarchical approach describing the Na valenc…
Self-interaction correction in a simple model
P. M. Dinh, J. Messud, P. -G. Reinhard +1
We discuss various ways to handle self-interaction corrections (SIC) to Density Functional Theory (DFT) calculations. To that end, we use a simple model of few particles in a finit…
Improved Slater approximation to SIC-OEP
J. Messud, P. M. Dinh, P. -G. Reinhard +1
We propose a simplification of the Optimized Effective Potential (OEP) applied to the Self Interaction Correction (SIC) scheme of Density Functional Theory (DFT). The new scheme fu…