Noncovalent Interactions in Density-Functional Theory

@article{DiLabio2014NoncovalentII,
  title={Noncovalent Interactions in Density-Functional Theory},
  author={Gino A. DiLabio and Alberto Otero-de-la-Roza},
  journal={arXiv: Chemical Physics},
  year={2014},
  pages={1-97}
}
Non-covalent interactions are essential in the description of soft matter, including materials of technological importance and biological molecules. In density-functional theory, common approaches fail to describe dispersion forces, an essential component in noncovalent binding interactions. In the last decade, great progress has been made in the development of accurate and computationally-efficient methods to describe noncovalently bound systems within the framework of density-functional… 

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