DIRECT-LIST ALGORITHM FOR CONFIGURATION-INTERACTION CALCULATIONS

We present a method for the direct generation of the Lists of strings, suited for integral-driven full-CI (FCI) algorithms. This method gene rates the string lists each time they are used, and hence sensibly red uces the memory requirements, compared to our previous method that pre calculates the Lists. It was also extended to permit a truncation of t he string space, according to the level of excitation. (C) 1997 by Joh n Wiley & Sons, Inc.