Abstract
The ability to square a lower triangular matrix, to fold a square matrix into triangular form, and an efficient matrix multiply are the three important utilities for vectorization of CI. Molecular symmetry treatments must be fully integrated into the program organization.
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© 1984 D. Reidel Publishing Company
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Bauschlicher, C.W. (1984). Considerations in Vectorizing the CI Procedure. In: Dykstra, C.E. (eds) Advanced Theories and Computational Approaches to the Electronic Structure of Molecules. NATO ASI Series, vol 133. Springer, Dordrecht. https://doi.org/10.1007/978-94-009-6451-8_2
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DOI: https://doi.org/10.1007/978-94-009-6451-8_2
Publisher Name: Springer, Dordrecht
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