Recent advances and perspectives in four-component Dirac-Kohn-Sham calculations
Leonardo Belpassi, Loriano Storchi, Harry M Quiney, Francesco Tarantelli
Physical Chemistry Chemical Physics | ROYAL SOC CHEMISTRY | Published : 2011
Awarded by MIUR
Awarded by Italian SuperComputer Resource Allocation (ISCRA-CINECA)
This work has been supported by the MIUR PRIN grant no. 2008KJX4SN_003. The latest computational developments and applications have been carried out under an Extreme Computing Initiative grant of the Distributed European Infrastructure for Supercomputing Applications (DEISA) and project HP10BO0PYX (AuCat) of the Italian SuperComputer Resource Allocation (ISCRA-CINECA).