366 citations · 880 across the 12 of their papers we have counts for
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physics.chem-ph2018★ 98 cited
Equation-of-Motion Coupled-Cluster Theory based on the 4-component Dirac-Coulomb(-Gaunt) Hamiltonian. Energies for single electron detachment, attachment and electronically excited states
Avijit Shee, Trond Saue, Lucas Visscher +1
We report in this paper an implementation of 4-component relativistic Hamiltonian based Equation-of-Motion Coupled-Cluster with singles and doubles (EOM-CCSD) theory for the calcul…
physics.atom-ph2018★ 10 cited
An oxorhenium complex bearing a chiral cyclohexane-1-olato-2-thiolato ligand: synthesis, stereochemistry and theoretical study of parity violation vibrational frequency shifts
Nidal Saleh, Radovan Bast, Nicolas Vanthuyne +4
In our effort towards measuring the parity violation energy difference between two enantiomers, a simple chiral oxorhenium complex 5 bearing enantiopure 2-mercaptocyclohexan-1-ol h…