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Calculation of orientation-dependent double-tensor moments
for Coulomb-type intermolecular interactions

Christof Hättig and Bernd Artur Heß

*Institut für Physikalische und Theoretische Chemie,
Universität Bonn, Wegelerstr. 12,
D-53115 Bonn, Germany
*

*Mol. Phys. ***81**, 813-824 (1994)

(Received 5 July 1993; accepted 14 September 1993)

A new derivation is presented for the orientation-dependent
interaction tensors which describe the electrostatic interaction
between two multipole or multipole polarizability distributions
both given in their own molecule-fixed coordinate system.
This derivation leads to an explicit equation that allows
an easy and direct evaluation of formulae for the components
of the double-tensors also for higher ranks.
Such an equation is given for the real,
for the complex spherical and for the cartesian moments.
The formula is suitable to provide stable computer-generated expressions for
tensor operators of any rank.

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