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Hamiltonian Matrix in CI

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Theoretical and Computational Chemistry

Communication J Chem Phys : Machine Learning Classification can Significantly Reduce the Cost of Calculating the Hamiltonian Matrix in CI Calculations

Chen Qu, Paul Houston, Qi Yu, Riccardo Conte, Priyanka Pandey, Apurba Nandi, Joel Bowman

Version 2 posted 31 July 2023

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