par Sutcliffe, Brian T.
Référence Journal of mathematical chemistry, 44, 4, page (988-1008)
Publication Publié, 2008-11
Article révisé par les pairs
Résumé : An attempt is made to determine the relationship between the full Schrödinger Coulomb Hamiltonian and the clamped nuclei form that is usually the basis of electronic structure calculations, without treating identical nuclei as distinguishable. It is concluded that it is not at present possible to establish such a relationship in a mathematically secure way. © 2008 Springer Science+Business Media, LLC.