Abstract
LetE(R), respectivelye(R), denote the total energy, respectively the electronic contribution to the energy, in the Thomas-Fermi theory for a system of two fixed nuclei a distanceR apart. We prove thate(R) and −E(R) increase asR does. For the case ofN fixed nuclei, we prove the monotonicity ofe andE under certain displacements of the coordinates of the nuclei. The analogous result for the electronic contribution to the Born-Oppenheimer energy is proved.
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Communicated by E. Lieb
Research supported by U.S. National Science Foundation under Grant MCS 80-17781
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Benguria, R. Dependence of the Thomas-Fermi energy on the nuclear coordinates. Commun.Math. Phys. 81, 419–428 (1981). https://doi.org/10.1007/BF01209076
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DOI: https://doi.org/10.1007/BF01209076