János G. Ángyán^a, Georg Jansen^a, Michel Loos^a, Christof Hättig^b, Bernd Artur Heß^b
aLaboratoire de Chemie Théorique, Université de Nancy I, URA CNRS No. 510, B.P. 239, F-54506 Vandoeuvre-lès-Nancy Cedex, France
^bInstitut für Physikalische und Theoretische Chemie, Universität Bonn, Wegelerstr. 12, D-53115 Bonn, Germany

Chem. Phys. Lett. 219, 267-273 (1994)
(Received 17 December 1997)

Distributed atom-atom multipolar polarizabilities have been calculated at the coupled perturbed Hartree-Fock (CPHF) level, using Bader's topological theory of partition the molecular charge density into atomic domains. The proposed scheme applies without difficulty to molecules of arbitrary shape and symmetry and maintains a remarkable stability of the individual atomic polarizability components with respect to basis set extension, exemplified by the molecules CO, H₂O, NH₃ and BF₃.

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