2 citations · 3 across the 4 of their papers we have counts for
4 papers
Dissociative Electron Attachment on Metal Surfaces: The Case of HCl on Au(111)
Robin E. Moorby, Valentina Parravicini, Thomas-C. Jagau +1
The transfer of charges, including electrons and holes, is a key step in heterogeneous catalysis, taking part in the reduction and oxidation of adsorbate species on catalyst surfac…
Signatures of s-wave scattering in bound electronic states
Robin E. Moorby, Valentina Parravicini, Maristella Alessio +1
We compute EOM-EA-CCSD and EOM-EA-CCSDT potential energy curves and one-electron properties of several anions at bond lengths close to where these states become unbound. In the pot…
Interatomic and intermolecular Coulombic decay rates from equation-of-motion coupled-cluster theory with complex basis functions
Valentina Parravicini, Thomas-C. Jagau
When a vacancy is created in an inner-valence orbital of a dimer of atoms or molecules, the resulting species can undergo interatomic/intermolecular Coulombic decay (ICD): the hole…
Embedded equation-of-motion coupled-cluster theory for electronic excitation, ionization, electron attachment, and electronic resonances
Valentina Parravicini, Thomas-C. Jagau
The projection-based quantum embedding method is applied to electronically excited states of valence, Rydberg, and charge-transfer character, valence- and core-ionized states, as w…