Fock space multireference coupled cluster theory: Study of shape resonance

Authors

  • Sumantra Bhattacharya,

    1. Physical Chemistry Division, CSIR-National Chemical Laboratory, Dr. Homi Bhabha Road, Pashan, Pune, India
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  • Nayana Vaval,

    1. Physical Chemistry Division, CSIR-National Chemical Laboratory, Dr. Homi Bhabha Road, Pashan, Pune, India
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  • Sourav Pal

    Corresponding author
    1. Physical Chemistry Division, CSIR-National Chemical Laboratory, Dr. Homi Bhabha Road, Pashan, Pune, India
    • Physical Chemistry Division, CSIR-National Chemical Laboratory, Dr. Homi Bhabha Road, Pashan, Pune, India
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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.

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