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Benchmark full configuration interaction calculations on N2

✍ Scribed by S. Evangelisti; G. L. Bendazzoli

Book ID: 105580475
Publisher: Italian Physical Society
Year: 1995
Tongue: English
Weight: 354 KB
Volume: 17
Category: Article
ISSN: 0392-6737
DOI: 10.1007/bf02451671

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The extreme sparsity of the solution of the full configuration interaction (full CI) secular equations is exploited in a new algorithm. For very large problems, the high speed memory, disk storage, and CPU requirements are reduced considerably, compared to previous techniques. This allows the possib