Polarizabilities of Pi-Conjugated Chains from Broken-Symmetry DFT

Last updated 7th Jun 2017
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A pinboard by Bryan Wong

Assistant Professor, University of California, Riverside


We use quantum mechanical simulations to predict the electronic properties of new materials.

We present a detailed analysis of nonempirically tuned range-separated functionals, with both short- and long-range exchange, for calculating the static linear polarizability and second hyperpolari...