Multicomponent density-functional theory for electrons and nuclei |
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| Authors: | Kreibich T Gross E K |
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| Affiliation: | Institut für Theoretische Physik, Universit?t Würzburg, Am Hubland, D-97074 Würzburg, Germany. |
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| Abstract: | A multicomponent density-functional theory is developed for the combined system of electrons and nuclei. We construct approximate functionals for the electron-nuclear correlation energy and illustrate the theory by explicit calculations for the H+2 molecular ion. |
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