Abstract
The self consistent electron pairs (SCEP) method is a matrix oriented direct CI procedure that is especially well suited to vectorized computation. The structures and ideas of this method, along with recent generalizations, are presented. The relation to other direct correlation approaches and considerations for vectorization are also discussed.
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Meyer, W., Ahlrichs, R., Dykstra, C.E. (1984). The Method of Self Consistent Electron Pairs. A Matrix Oriented Direct CI. 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_3
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DOI: https://doi.org/10.1007/978-94-009-6451-8_3
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