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The Position of the Clamped Nuclei Electronic Hamiltonian in Quantum Mechanics

  • Brian Sutcliffe
  • R. Guy Woolley
Living reference work entry

Abstract

Arguments are advanced to support the view that at present it is not possible to derive molecular structure from the full quantum mechanical Coulomb Hamiltonian associated with a given molecular formula that is customarily regarded as representing the molecule in terms of its constituent electrons and nuclei. However molecular structure may be identified provided that some additional chemically motivated assumptions that lead to the clamped nuclei Hamiltonian are added to the quantum mechanical account.

Keywords

Irreducible Representation Young Diagram Trial Function Identical Particle Point Group Symmetry 
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Copyright information

© Springer Science+Business Media Dordrecht 2015

Authors and Affiliations

  1. 1.Service de Chimie Quantique et PhotophysiqueUniversité Libre de BruxellesBruxellesBelgium
  2. 2.School of Science and TechnologyNottingham Trent UniversityNottinghamUK

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