期刊
PHYSICAL REVIEW LETTERS
卷 86, 期 14, 页码 2984-2987出版社
AMERICAN PHYSICAL SOC
DOI: 10.1103/PhysRevLett.86.2984
关键词
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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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