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Quantum Simulation
Entanglement Theory Quantum Correlations
Open Quantum Systems Decoherence
Atomic correlation energies and the generalized gradient approximation
arXiv
Authors: Kieron Burke, Antonio Cancio, Tim Gould, Stefano Pittalis
Year
2014
Paper ID
47483
Status
Preprint
Abstract Read
~2 min
Abstract Words
76
Citations
N/A
Abstract
Careful extrapolation of atomic correlation energies suggests that Ec tends to -AZlog{Z} + BZ as Z tends to infinity, where Z is the atomic number, A is known, and B is about 38 milliHartrees. The coefficients roughly agree with those of the high-density limit of the real-space construction of the generalized gradient approximation. An asymptotic coefficient, missed by previous derivations, is included in a revised approximation. The exchange is also corrected, reducing atomic errors considerably.
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- Careful extrapolation of atomic correlation energies suggests that Ec tends to -AZlogZ + BZ as Z tends to infinity, where Z is the atomic number, A is known, and B is about 38...
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