Electrodynamic response and stability of molecular crystals

  title={Electrodynamic response and stability of molecular crystals},
  author={Bohdan Schatschneider and Jian-jie Liang and Anthony M. Reilly and Noa Marom and Guo‐Xu Zhang and Alexandre Tkatchenko},
  journal={Physical Review B},
We show that electrodynamic dipolar interactions, responsible for long-range fluctuations in matter, play a significant role in the stability of molecular crystals. Density functional theory calculations with van der Waals interactions determined from a semilocal “atom-in-a-molecule” model result in a large overestimation of the dielectric constants and sublimation enthalpies for polyacene crystals from naphthalene to pentacene, whereas an accurate treatment of nonlocal electrodynamic response… 

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