Reference 113
B. G. Johnson and M. J. Frisch, "Analytic second derivatives of the gradient-corrected density functional energy: Effect of quadrature weight derivatives," Chem. Phys. Lett. 216, 133 (1993).
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Reference 113B. G. Johnson and M. J. Frisch, "Analytic second derivatives of the gradient-corrected density functional energy: Effect of quadrature weight derivatives," Chem. Phys. Lett. 216, 133 (1993). |