Calculation of some atomic properties by gradient corrected density functional method
Zeitschrift für Physik D Atoms, Molecules and Clusters, ISSN: 0178-7683, Vol: 17, Issue: 2, Page: 127-131
1990
- 10Citations
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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.
Citation Benchmarking is provided by Scopus and SciVal and is different from the metrics context provided by PlumX Metrics.
Metrics Details
- Citations10
- Citation Indexes10
- 10
- CrossRef8
Article Description
Using the Perdew and Perdew-Wang Yue gradient expansion functionals the total electronic binding energies, the ionization potentials and the KL transitin energies are calculated for the atoms of elements from Be to Cu, and the 3 d-4 s transition energies are determined for the third row elements. There is a general improvement with respect to the results found without gradient corrections. However the asymptotic behavior of the potential does not changes. © 1990 Springer-Verlag.
Bibliographic Details
http://www.scopus.com/inward/record.url?partnerID=HzOxMe3b&scp=3042936976&origin=inward; http://dx.doi.org/10.1007/bf01437667; http://link.springer.com/10.1007/BF01437667; http://www.springerlink.com/index/pdf/10.1007/BF01437667; https://link.springer.com/10.1007/BF01437667; https://dx.doi.org/10.1007/bf01437667; https://link.springer.com/article/10.1007/BF01437667; http://www.springerlink.com/index/10.1007/BF01437667
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