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The use of a jellium model for the electrodes gives a good account of the conductance of a gold nanowire linking two metallic electrodes. The statement to the contrary in the recent paper of Fujimoto and Hirose [Phys. Rev. B 67, 195315 (2003)] is based on an incorrect positioning of the edge of the jellium relative to the outermost lattice plane of the electrode it represents.
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Journal of Organometallic Chemistry
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