TY - JOUR
T1 - Direct-list algorithm for configuration interaction calculations
AU - Gagliardi, Laura
AU - Bendazzoli, Gian Luigi
AU - Evangelisti, Stefano
PY - 1997/8
Y1 - 1997/8
N2 - 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.
AB - 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.
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U2 - 10.1002/(SICI)1096-987X(199708)18:11<1329::AID-JCC1>3.0.CO;2-N
DO - 10.1002/(SICI)1096-987X(199708)18:11<1329::AID-JCC1>3.0.CO;2-N
M3 - Article
AN - SCOPUS:0000538073
SN - 0192-8651
VL - 18
SP - 1329
EP - 1343
JO - Journal of Computational Chemistry
JF - Journal of Computational Chemistry
IS - 11
ER -