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Numerical Differentiation of Gradients

L. Fan and T. Ziegler, Application of density functional theory to infrared absorption intensity calculations on main group molecules. Journal of Chemical Physics 96, 9005 (1992)

L. Fan and T. Ziegler, Application of density functional theory to infrared absorption intensity calculations on transition-metal carbonyls. Journal of Physical Chemistry 96, 6937 (1992)

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