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Keywords:

  • Fock-space multireference coupled cluster theory;
  • shape resonance;
  • correlated independent particle potential

Abstract

The complex absorbing potential along with correlated independent particle potential (CIP) Fock space multireference coupled cluster method is used for the study of resonances. We have studied shape resonance of e- F2, e- N2O and e-CO molecules. In particular, we have studied e- F2 scattering at different bond lengths to know whether equation image is bound at the equilibrium bond length of F2. © 2013 Wiley Periodicals, Inc.