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Isoelectronic changes in energy of quark atoms and molecules via the Levy equation

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Summary

Z-transition state calculations based on the Levy equation suggest that the isoelectronic changes in energy of quark atoms,Q, (ordinary atoms with extra nuclear charge in units of ±1/3 and/or ±2/3) can be expressed quantitatively in terms of the electrostatic potential at the nucleus of an isoelectronic ordinary atom. Numerical tests within the local density functional theory are presented for the quark atoms of Li-F. Theab initio MO (molecular orbital) calculations using STO-5G basis on the C2 molecule and its quark derivatives lead to similar conclusions.

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Authors and Affiliations

  1. School of Chemistry, University of Hyderabad, 500 134, Hyderabad, India

    K. D. Sen

  2. Department of Chemistry, University of New Orleans, 70148, New Orleans, LA, USA

    Jorge M. Seminario

Authors
  1. K. D. Sen
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  2. Jorge M. Seminario
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Sen, K.D., Seminario, J.M. Isoelectronic changes in energy of quark atoms and molecules via the Levy equation. Theoret. Chim. Acta 77, 57–60 (1990). https://doi.org/10.1007/BF01114652

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  • DOI: https://doi.org/10.1007/BF01114652

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