A generalized Poisson equation and short-range self-interaction energies.

نویسندگان

  • Sergey A Varganov
  • Andrew T B Gilbert
  • Peter M W Gill
چکیده

We generalize the Poisson equation to attenuated Newtonian potentials. If the attenuation is at least exponential, the equation provides a local mapping between the density and its potential. We use this to derive several density functionals for the short-range self-interaction energy.

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عنوان ژورنال:
  • The Journal of chemical physics

دوره 128 24  شماره 

صفحات  -

تاریخ انتشار 2008