Abstract
A simplified procedure for SCF Xα SW calculations on molecular systems, that can be divided into interacting units, is presented. The calculations are carried out on one part of the system at a time, iterating between interacting parts until self-consistency is attained. By exploiting the local molecular symmetry of each component part, the calculations can be further simplified, and only moderate amounts of computer time are required. The standard SCF Xα SW computer program has been modified to perform these calculations. Results for a water trimer are presented as a simple illustration of the method.
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