366 citations · 880 across the 12 of their papers we have counts for
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physics.chem-ph2022★ 53 cited
4-component relativistic Hamiltonian with effective QED potentials for molecular calculations
Ayaki Sunaga, Maen Salman, Trond Saue
We report the implementation of effective QED potentials for all-electron 4-component relativistic molecular calculations using the DIRAC code. The potentials are also available fo…
physics.chem-ph2022★ 71 cited
Exact two-component Hamiltonians for relativistic quantum chemistry: Two-electron picture-change corrections made simple
Stefan Knecht, Michal Repisky, Hans Jørgen Aagaard Jensen +1
Based on self-consistent field (SCF) atomic mean-field (amf) quantities, we present two simple, yet computationally efficient and numerically accurate matrix-algebraic approaches t…