Charge fluctuations from molecular simulations in the constant-potential ensemble [electronic resource]
We revisit the statistical mechanics of charge fluctuations in capacitors. In constant-potential classical molecular simulations, the atomic charges of electrode atoms are treated as additional degrees of freedom which evolve in time so as to satisfy the constraint of fixed electrostatic potential f...
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| Corporate Authors: | , |
| Format: | Government Document Electronic eBook |
| Language: | English |
| Published: |
Washington, D.C. : Oak Ridge, Tenn. :
United States. Department of Energy. Office of Science ; Distributed by the Office of Scientific and Technical Information, U.S. Department of Energy,
2019.
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| Subjects: |
Internet
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| Call Number: |
E 1.99:1721640
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| E 1.99:1721640 | Available |