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The separation of electronic and nuclear motion in the diatomic molecule

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Abstract

The Schrödinger Coulomb Hamiltonian for electronic and nuclear motion in a diatomic molecule is presented and its effect upon functions which are products of functions of electronic and of nuclear variables is explicitly exhibited. Computational approaches to finding approximate solutions in such a basis are outlined.

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Authors and Affiliations

  1. Lab. de Chimie quantique et Photophysique, Univ. Libre de Bruxelles, 1050, Bruxelles, Belgium

    Brian T Sutcliffe

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  1. Brian T Sutcliffe
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Correspondence to Brian T Sutcliffe.

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Contribution to the Serafin Fraga Memorial Issue.

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Sutcliffe, B.T. The separation of electronic and nuclear motion in the diatomic molecule. Theor Chem Account 118, 563–571 (2007). https://doi.org/10.1007/s00214-007-0357-8

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  • DOI: https://doi.org/10.1007/s00214-007-0357-8

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