par Sutcliffe, Brian T.
Référence Molecular Physics, 113, 13-14, page (1600-1607)
Publication Publié, 2015-07
Article révisé par les pairs
Résumé : An examination is made of the way in which the kinetic energy operator for internal motion alone is commonly constructed in molecular quantum mechanics. It is shown that some care needs to be taken to specify the precise conditions under which the form of the operator so obtained is a valid form. Particular care is needed in constructing a reaction path Hamiltonian.