Parallelization of four-component calcul
β
M. Pernpointner; L. Visscher; W. A. de Jong; R. Broer
π
Article
π
2000
π
John Wiley and Sons
π
English
β 219 KB
The treatment of relativity and electron correlation on an equal footing is essential for the computation of systems containing heavy elements. Correlation treatments that are based on four-component Dirac-Hartree-Fock calculations presently provide the most accurate, albeit costly, way of taking re