156 citations · 683 across the 16 of their papers we have counts for
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physics.chem-ph2015★ 22 cited
Assessment of the accuracy of coupled cluster perturbation theory for open-shell systems. I. Triples expansions
Janus Juul Eriksen, Devin A. Matthews, Poul Jørgensen +1
The accuracy at which total energies of open-shell atoms and organic radicals may be calculated is assessed for selected coupled cluster perturbative triples expansions, all of whi…
physics.chem-ph2015★ 90 cited
Coupled-cluster theory for atoms and molecules in strong magnetic fields
Stella Stopkowicz, Jürgen Gauss, Kai K. Lange +2
An implementation of coupled-cluster (CC) theory to treat atoms and molecules in finite magnetic fields is presented. The main challenges stem from the magnetic-field dependence in…