A density-functional model of the dispersion interaction.

@article{Becke2005ADM,
  title={A density-functional model of the dispersion interaction.},
  author={Axel D. Becke and Erin R. Johnson},
  journal={The Journal of chemical physics},
  year={2005},
  volume={123 15},
  pages={
          154101
        }
}
We have recently introduced [J. Chem. Phys. 122, 154104 (2005)] a simple parameter-free model of the dispersion interaction based on the instantaneous in space, dipole moment of the exchange hole. The model generates remarkably accurate interatomic and intermolecular C6 dispersion coefficients, and geometries and binding energies of intermolecular complexes. The model involves, in its original form, occupied Hartree-Fock or Kohn-Sham orbitals. Here we present a density-functional reformulation… CONTINUE READING

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