366 citations · 880 across the 12 of their papers we have counts for
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physics.chem-ph2020★ 366 cited
The DIRAC code for relativistic molecular calculations
Trond Saue, Radovan Bast, Andre Severo Pereira Gomes +24
DIRAC is a freely distributed general-purpose program system for 1-, 2- and 4-component relativistic molecular calculations at the level of Hartree--Fock, Kohn--Sham (including ran…
physics.chem-ph2020★ 29 cited
Beyond the electric-dipole approximation in simulations of X-ray absorption spectroscopy: Lessons from relativistic theory
Nanna Holmgaard List, Timothé Romain Léo Melin, Martin van Horn +1
We present three schemes to go beyond the electric-dipole approximation in X-ray absorption spectroscopy calculations within a four-component relativistic framework. The first is b…