Multi-electron excitation contributions towards primary and satellite states in the photoelectron spectrum
Torsha Moitra, Alexander C. Paul, Piero Decleva, Henrik Koch, Sonia Coriani
Abstract
The computation of Dyson orbitals and corresponding ionization energies has been implemented within the equation of motion coupled cluster singles, doubles and perturbative triples (EOM-CC3) method.
Topics & Concepts
PhotoionizationAtomic physicsIonizationExcitationAsymmetryAtomic orbitalCoupled clusterElectron excitationChemistryDichroic glassElectronPhysicsQuantum mechanicsMoleculeOptoelectronicsIonAdvanced Chemical Physics StudiesAtmospheric chemistry and aerosolsAtmospheric Ozone and Climate