Original scientific paper

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

Abstract

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.

Keywords

Hrčak ID:

194213

URI

https://hrcak.srce.hr/194213

Publication date:

1.10.1983.

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