Direct-list algorithm for configuration interaction calculations
نویسندگان
چکیده
We present a method for the direct generation of the lists of Ž . 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. Q 1997 by John Wiley & Sons, Inc. J Comput Chem 18: 1329]1343, 1997
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عنوان ژورنال:
- Journal of Computational Chemistry
دوره 18 شماره
صفحات -
تاریخ انتشار 1997