Lack of Hohenberg-Kohn theorem for excited states.
نویسندگان
چکیده
For a given excited state there exist densities that arise from more than one external potential. This is due to a qualitatively different energy-density relationship from that of the ground state and is related to positive eigenvalues in the nonlocal susceptibility for excited states. Resulting problems with the generalization of the density functional methodology to excited states are discussed.
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ورودعنوان ژورنال:
- Physical review letters
دوره 93 17 شماره
صفحات -
تاریخ انتشار 2004