Ab initio calculation of the thermodynamic properties of liquid alkali metals View Full Text


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Article Info

DATE

2011-08

AUTHORS

V. A. Krashaninin, A. A. Yur’ev, E. A. Yur’ev

ABSTRACT

The original ab initio pseudopotential that is based on the orthogonalized plane wave method and was proposed earlier is applied for the calculation of the thermodynamic properties of liquid metals in combination with a variational approach. Numerical results are obtained for pure Li, Na, and K and an Na-K alloy. The calculated results are compared with the experimental data, and the possible causes of the discrepancy are described. More... »

PAGES

709-714

Identifiers

URI

http://scigraph.springernature.com/pub.10.1134/s0036029511080106

DOI

http://dx.doi.org/10.1134/s0036029511080106

DIMENSIONS

https://app.dimensions.ai/details/publication/pub.1031139505


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