Metal surface energy: Persistent cancellation of short-range correlation effects beyond the random phase approximation
- 6 January 2003
- journal article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 67 (4)
- https://doi.org/10.1103/physrevb.67.045101
Abstract
The role that non-local short-range correlation plays at metal surfaces is investigated by analyzing the correlation surface energy into contributions from dynamical density fluctuations of various two-dimensional wave vectors. Although short-range correlation is known to yield considerable correction to the ground-state energy of both uniform and non-uniform systems, short-range correlation effects on intermediate and short-wavelength contributions to the surface formation energy are found to compensate one another. As a result, our calculated surface energies, which are based on a non-local exchange-correlation kernel that provides accurate total energies of a uniform electron gas, are found to be very close to those obtained in the random-phase approximation and support the conclusion that the error introduced by the local-density approximation is small.Keywords
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