Dr. Eduard Matito

Quantum Chemistry



Posted on July 2, 2010 at 9:52 AM

I'm currently attending the Electronic Structures: Principles and Applications (ESPA) conference, which in its 7th edition is held in Oviedo (Asturias). Here I was given the opportunity to communicate the last results we have obtained for a-few-electron harmonium. We are gettting close to obtain new benchmark data which will be used in the next months to calibrate the performance of different electronic structure methods and DFT functionals. These results involve three-electron harmonium. We need to go to larger number of electrons ( four and five) in order to provide more relevant data which can be used to develope new DFT and DMFT functionals. Let us hope we can find supercomputing facilities in order to carry out this research.

This presentation is available here.

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