A Universal Damping Function for Empirical Dispersion Correction on Density Functional Theory

@article{Liu2009AUD,
  title={A Universal Damping Function for Empirical Dispersion Correction on Density Functional Theory},
  author={Yi Liu and William A. Goddard},
  journal={Materials Transactions},
  year={2009},
  volume={50},
  pages={1664-1670}
}
A damped London dispersion interaction is generally adopted in empirical dispersion corrections on density functional theory (DFT), where dispersion parameters are determined empirically to reproduce correct dispersive interactions after assuming a damping function. The key to a successful dispersion correction is choosing an appropriate damping function. In this work we propose a single universal damping function that can represent several damping functions used in literatures with a few… 

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