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Fizika Tverdogo Tela, 2018, Volume 60, Issue 1, Pages 151–159
DOI: https://doi.org/10.21883/FTT.2018.01.45302.134 (Mi ftt9341) 		 
This article is cited in 2 scientific papers (total in 2 papers)

Lattice dynamics

Ab initio theory of the equation of state for compressed rare gas crystals

E. A. Pilipenkoa, E. P. Troitskayaa, E. E. Gorbenkob

a O O Galkin Donetsk Institute for Physics and Engineering, National Academy of Sciences of Ukraine
b Lugansk Taras Shevchenko National University
Full-text PDF (269 kB) Citations (2)
DOI: https://doi.org/10.21883/FTT.2018.01.45302.134
Abstract: Nonempirical equations of state of compressed rare gas crystals Ne, Ar, Kr, and Xe are studied on the basis of the earlier-obtained ab initio adiabatic potential. The paired and three-body short-range repulsive potentials are calculated by the Hartree–Fock method in the basis of localized functions with their exact mutual orthogonalization and do not contain experimentally determined parameters. The theory is compared with the experiment and results of calculations by other authors. Analysis of the proposed equations of state for large compressions has shown the importance of taking into account the three-body interaction and the terms of the higher order in the overlap integral in compressed neon and the sufficiency of the quadratic approximation in the orthogonalization of functions in heavy rare gas crystals.
Received: 19.04.2017
English version:
Physics of the Solid State, 2018, Volume 60, Issue 1, Pages 153–161
DOI: https://doi.org/10.1134/S1063783418010171
Bibliographic databases:
Document Type: Article
Language: Russian
Citation: E. A. Pilipenko, E. P. Troitskaya, E. E. Gorbenko, “Ab initio theory of the equation of state for compressed rare gas crystals”, Fizika Tverdogo Tela, 60:1 (2018), 151–159; Phys. Solid State, 60:1 (2018), 153–161
Citation in format AMSBIB
\Bibitem{PilTroGor18}
\by E.~A.~Pilipenko, E.~P.~Troitskaya, E.~E.~Gorbenko
\paper Ab initio theory of the equation of state for compressed rare gas crystals
\jour Fizika Tverdogo Tela
\yr 2018
\vol 60
\issue 1
\pages 151--159
\mathnet{http://mi.mathnet.ru/ftt9341}
\crossref{https://doi.org/10.21883/FTT.2018.01.45302.134}
\elib{https://elibrary.ru/item.asp?id=32737392}
\transl
\jour Phys. Solid State
\yr 2018
\vol 60
\issue 1
\pages 153--161
\crossref{https://doi.org/10.1134/S1063783418010171}
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    • This publication is cited in the following 2 articles:
    Citing articles in Google Scholar: Russian citations, English citations
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    		Fizika Tverdogo Tela Fizika Tverdogo Tela
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