par Sutcliffe, Brian T.
Référence International journal of quantum chemistry, 90, 1, page (66-79)
Publication Publié, 2002-10
Article révisé par les pairs
Résumé : In a talk given in 1986 in honor of Prof. Raymond Daudel, Löwdin famously defined a molecule in the following quantum mechanical terms: "A system of electrons and atomic nuclei is said to form a molecule if the Coulombic Hamiltonian H′ - with the centre of mass motion removed - has a discrete ground state energy E 0." We examine this definition in the context of chemical thinking about a molecule and attempt to place it in the context of the developments since the time of that talk. © 2002 Wiley Periodicals, Inc. Int. J. Quantum. Chem.