Croatica Chemica Acta, Vol. 56 No. 3, 1983.
Izvorni znanstveni članak
Topological Properties of Small Li Clusters and the Pariser-Parr-Pople-Type Model
Jaroslav Koutecky
; Institut fur Physikalische Chemie Freie Universitat Berlin, 1000 Berlin 33, Germany
Dejan Plavšić
; Institut fur Physikalische Chemie Freie Universitat Berlin, 1000 Berlin 33, Germany
Detlef Dohnert
; Institut fur Physikalische Chemie Freie Universitat Berlin, 1000 Berlin 33, Germany
Sažetak
A simple analysis of the spin multiplicity of the ground state
is presented in the weakly correlated limit. The ab initio MRD-CI
predictions on the small lithium clusters and the full CI results
of the Pariser-Parr-Pople model for the corresponding network
of centers exhibit a close parallelity which is possible to rationalize.
Ključne riječi
Hrčak ID:
194213
URI
Datum izdavanja:
1.10.1983.
Posjeta: 806 *