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Accurate Exchange-Correlation Potential for Silicon and Its Discontinuity on Addition of an Electron

✍ Scribed by Godby, R. W.; Schlüter, M.; Sham, L. J.


Book ID
118233432
Publisher
The American Physical Society
Year
1986
Tongue
English
Weight
470 KB
Volume
56
Category
Article
ISSN
0031-9007

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An accurate local exchange potential for
✍ K.D. Sen 📂 Article 📅 1992 🏛 Elsevier Science 🌐 English ⚖ 200 KB

An orbital-generated local exchange potential, obtained as the work done in moving an electron in the electric field of its Fermi hole, is found to give Hartree-Fock quality results for the one-and two-electron excited states of Na and Be, respectively. The calculated total energies are found to pro