Unique labelling of many-electron states in multicentre systems

Abstract

General methods of generating complete sets of states for l(<or=2n) electrons in s-states on n centres are described. It is shown that a unique labelling of these states can always be obtained using a fictitious Sn symmetry of the n centres. Explicit descriptions of eight, seven and four electrons on eight centres are derived and the problem of determining a unique labelling for these states on rigid eight-centre structures with cubic and lower symmetry is solved.