complexes: beyond the pseudo-diatomic approximation


We investigate theoretically the electronic structure of IPCO and IPOCS van der Waals complexes including spin–orbit 2 interaction. For the T-shaped geometry of IPCO , we calculate the potentials using a fully polyatomic treatment and 2 compare the results to the widely used pseudo-diatomic approximation. The latter becomes increasingly invalid at I–CO2… (More)


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@inproceedings{Waals1999complexesBT, title={complexes: beyond the pseudo-diatomic approximation}, author={IPOCS van der Waals and Andrei Sanov and James R. Faeder and Robert Parson and W Carl Lineberger}, year={1999} }