Abstract
A review is given of the application of the multi-reference configuration interaction method for the ab initio calculation of potential-energy surfaces for molecular ions. The importance of using adequate basis sets and of choosing suitable sets of reference configurations is discussed. Recent calculations for SiH+ and SiH+2 are outlined in the context of their relevance to recent spectroscopic and dynamical experiments.
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More From: Journal of the Chemical Society, Faraday Transactions 2
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