User contributions for Ajwt3

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13 October 2025

14 September 2025

  • 07:4507:45, 14 September 2025 diff hist +4,025 N Fast Randomised IterationCreated page with "= Project Title = Fast Randomized Iteration approach to Coupled Cluster = Project Phase = proto == Project aims/abstract == L.-H. Lim and J. Weare, Fast randomized iteration: diffusion Monte Carlo through the lens of numerical linear algebra, SIAM Rev. 59 (2017), 547–587, DOI 10.1137/15M1040827. J. Lu and Z. Wang, The full configuration interaction quantum Monte Carlo method through the lens of inexact power iteration, SIAM J. Sci. Comput. 42 (2020), B1–B29, DOI 1..."

9 September 2025

  • 11:0711:07, 9 September 2025 diff hist +4,741 N Stochastic Density FittingCreated page with "= Development of stochastic density fitting approaches = == Project aims/abstract == One of the main bottlenecks in practical applications of quantum chemistry is the storage and the AO-MO transformation of two-electron integrals. These processes are highly memory intensive, which makes calculations challenging for systems of chemical interest. In this project, we implement a tensor-factorisation-based technique, and exploit the inherent sparsity of the resulting inter..." current

1 August 2025

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6 June 2025

2 April 2025

1 April 2025

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31 October 2024

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26 June 2024

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