• Potential energy curves for neutral and multiply charged carbon monoxide

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      https://www.ias.ac.in/article/fulltext/pram/074/01/0049-0055

    • Keywords

       

      Potential energy curves; ab initio calculations; multiply charged; excited states; multireference configuration interaction.

    • Abstract

       

      Potential energy curves of various electronic states of CO$^{n+}$ ($0 \leq n \leq 6$) are generated at MRCI/CASSCF level using cc-pvQZ basis set and the results are compared with available experimental and theoretical data.

    • Author Affiliations

       

      Pradeep Kumar1 N Sathyamurthy1 2 3

      1. Department of Chemistry, Indian Institute of Technology Kanpur, Kanpur 208 016, India
      2. Indian Institute of Science Education and Research Mohali, MGSIPAP Complex, Sector 26, Chandigarh 160 019, India
      3. Jawaharlal Nehru Centre For Advanced Scientific Research, Jakkur, Bangalore 560 064, India
    • Dates

       
  • Pramana – Journal of Physics | News

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      Posted on July 25, 2019

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