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Publication - Professor Fred Manby

    Analytical Gradients for Projection-Based Wavefunction-in-DFT Embedding

    Citation

    Lee, S, Ding, F, Manby, F & Miller, T, 2019, ‘Analytical Gradients for Projection-Based Wavefunction-in-DFT Embedding’. Journal of Chemical Physics.

    Full details in the University publications repository