Direct-list algorithm for configuration interaction calculations
Laura Gagliardi, Gian Luigi Bendazzoli, Stefano Evangelisti · Journal of Computational Chemistry · 1997
We present a method for the direct generation of the lists of strings, suited for integral-driven full-CI (FCI) algorithms. This method generates the string lists each time they are used, and hence sensibly reduces the memory requirements, compared to our previous method that precalculates the lists. It was also extended to permit a truncation of the string space, according to the level of excitation. © 1997 by John Wiley & Sons, Inc. J Comput Chem 18: 1329–1343, 1997