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.
Full Text 
Sign-in/Register to access full text options
Sign-in/Register to access full text options 
Paper version not known
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callMore From: Journal of the Chemical Society, Faraday Transactions 2
Paper Title
Journal
Date
