Interatomic Coulombic Decay (ICD) is a general mechanism in which an excited atom can transfer its excess energy to a neighbor which is thus ionized. ICD belongs to the family of Feshbach resonance processes, and, as such, states undergoing ICD are characterized by their energy width. In this work, we investigate the computations of ICD widths using the R-matrix method as implemented in the UKRmol package. Helium dimer is used here as a benchmark system. The results are compared with those obtained with the well established Fano-Algebraic Diagrammatic Construction method. It is shown that the R-matrix method in its present implementation provides accurate total and partial widths if the kinetic energy of the ICD electron is lower than 10 eV. Advantages and limitations of the R-matrix method on the computations of ICD widths are discussed.

Charles University Faculty of Mathematics and Physics Institute of Theoretical Physics 5 Holešovičkách 2 180 00 Prague Czech Republic

School of Physical Sciences The Open University Walton Hall Milton Keynes MK7 6AA United Kingdom

Sorbonne Universités UPMC Univ Paris 06 CNRS Laboratoire de Chimie Physique Matière et Rayonnement F 75005 Paris France

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