First-order gradient correction for the exchange-energy density functional for atoms
Theoretica Chimica Acta, ISSN: 0040-5744, Vol: 84, Issue: 3, Page: 237-243
1992
- 7Citations
- 3Captures
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Example: if you select the 1-year option for an article published in 2019 and a metric category shows 90%, that means that the article or review is performing better than 90% of the other articles/reviews published in that journal in 2019. If you select the 3-year option for the same article published in 2019 and the metric category shows 90%, that means that the article or review is performing better than 90% of the other articles/reviews published in that journal in 2019, 2018 and 2017.
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Article Description
Spurred by earlier discoveries by Deb and others that a first-order correction in the kinetic energy functional leads to an improved kinetic energy, a first-order gradient term is studied as a component of the gradient-corrected functional for atomic exchange energy. This term is shown to improve the local density approximation to the exchange energy more than does the usual second-order gradient correction. The imperative of systematically deriving this gradient correction is discussed but not resolved. © 1992 Springer-Verlag.
Bibliographic Details
http://www.scopus.com/inward/record.url?partnerID=HzOxMe3b&scp=0042776814&origin=inward; http://dx.doi.org/10.1007/bf01113210; http://link.springer.com/10.1007/BF01113210; http://link.springer.com/content/pdf/10.1007/BF01113210; http://link.springer.com/content/pdf/10.1007/BF01113210.pdf; http://link.springer.com/article/10.1007/BF01113210/fulltext.html; http://www.springerlink.com/index/pdf/10.1007/BF01113210; http://www.springerlink.com/index/10.1007/BF01113210; https://dx.doi.org/10.1007/bf01113210; https://link.springer.com/article/10.1007/BF01113210
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