Hu, Xiangqian; Xiao, Dequan; Keinan, Shahar; Therien, Michael; Yang, Weitao; Beratan, David
(AMER CHEMICAL SOC, 2010)
Successfully predicting the frequency dispersion of electronic hyperpolarizabilities is an unresolved challenge in materials science and electronic structure theory. We show that the generalized Thomas-Kuhn sum rules, ...