Surprisingly open

Somehow I have missed the fact that a recently published paper on “Self-interaction error in DFT-based modelling of ionic liquids” is gold open-access That is great! Thanks to the Universidad Autónoma de Madrid that paid the costs.

In this paper we investigate the influence of the self-interaction error (SIE) on dipole moments and interaction energies of ionic liquids. The reference level is MP2, yet we are already moving to the CCSD(T) level. Most importantly, the influence of the SIE of KS-DFT has been barely considered within the ionic liquid community, and the presented study addresses exactly this issue. Read the open access article and examine your-self what we have found

P.S. The paper was prepared in ShareLaTeX mainly by me (Vladislav Ivaništšev) and Isabel Lage-Estebanez. In-time we will share some tips and tricks about organizing the real-time editing. Anton Ruzanov performed most of the analysis, visualization and plotting. Some know-how should be also shared soon.