631 citations · 1.3k across the 9 of their papers we have counts for
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Relativistic EOM-CCSD for core-excited and core-ionized state energies based on the 4-component Dirac-Coulomb(-Gaunt) Hamiltonian
Loïc Halbert, Marta Lopez Vidal, Avijit Shee +2
We report an implementation of the core-valence separation approach to the 4-component relativistic Hamiltonian based equation-of-motion coupled-cluster with singles and doubles th…
Electrical spin injection into InGaAs/GaAs quantum wells: a comparison between MgO tunnel barriers grown by sputtering and molecular beam epitaxy methods
P. Barate, S. Liang, T. T. Zhang +16
An efficient electrical spin injection into an InGaAs/GaAs quantum well light emitting diode is demonstrated thanks to a CoFeB/MgO spin injector. The textured MgO tunnel barrier is…
RIXS Reveals Hidden Local Transitions of the Aqueous OH Radical
L. Kjellsson, K. Nanda, J. -E. Rubensson +23
Resonant inelastic x-ray scattering (RIXS) provides remarkable opportunities to interrogate ultrafast dynamics in liquids. Here we use RIXS to study the fundamentally and practical…
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…