The dependence on and continuity of the energy and other molecular properties with respect to the number of electrons

@article{Ayers2008TheDO,
  title={The dependence on and continuity of the energy and other molecular properties with respect to the number of electrons},
  author={Paul W. Ayers},
  journal={Journal of Mathematical Chemistry},
  year={2008},
  volume={43},
  pages={285-303}
}
It was recently shown that the size consistency of the energy implies that, for any system with a rational number of electrons, the energy is given by the weighted average of the two systems with the nearest integer numbers of electrons. Specifically, E[N+P/Q] =  (1−P/Q)E[N] + (P/Q)E[N+1]. This paper extends that analysis, showing that the same result holds for irrational numbers of electrons. This proves that the energy is a continuous function of the number of electrons, and justifies… CONTINUE READING

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