Static structure factor and electronic transport properties of liquid rubidium from a first principles pseudopotential calculation |
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Authors: | F Sun RS Day PH Cutler |
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Institution: | Department of Physics, The Pennsylvania State University, University Park, PA 16802, USA |
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Abstract: | A first principles nonlocal pseudopotential calculation is used to obtain the ion-ion potential for liquid rubidium of 45°C. This is then used in a Monte Carlo simulation to determine the liquid structure S(q) and transport properties. It is found that the accuracy of the S(q), in the low q-region, is crucial to the calculation of electronic transport properties. |
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