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Multi-dimensional discrete Fourier transforms (DFT) are typically decomposed into multiple 1D transforms.
An algorithm for the machine calculation of complex fourier series
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High performance computational chemistry: An overview of NWChem a distributed parallel application
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NWChem: a comprehensive and scalable open-source solution for large scale molecular simulations
Marat Valiev, Eric J Bylaska, Niranjan Govind, Karol Kowalski, Tjerk P Straatsma, Hubertus JJ Van Dam, Dunyou Wang, Jarek Nieplocha, Edoardo Apra, Theresa L Windus, et al · 2010
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Advances in scalable computational chemistry: NWChem
TP Straatsma, EJ Bylaska, HJJ van Dam, N Govind, WA de Jong, K Kowalski, and M Valiev · 2011
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Steven J Plimpton and Aidan P Thompson · 2012
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