Search Results - Roper, Ian P.E.

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    The effect of basis set and exchange-correlation functional on time-dependent density functional theory calculations within the Tamm-Dancoff approximation of the X-ray emission spectroscopy of transition metal complexes

    The effect of basis set and exchange-correlation functional on time-dependent density functional theory calculations within the Tamm-Dancoff approximation of the X-ray emission spe... by Roper, Ian P.E., Besley, Nicholas A.

    Published 2016
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