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Cluster expansion for the description of condensed state: crystalline cell approach

Cluster expansion for the description of condensed state: crystalline cell approach

A well-known cluster expansion, which leads to virial expansion for the free energy of low density systems, is modified in such a way that it becomes applicable to the description of condensed state of matter. To this end, the averaging of individual clusters over the states of an ideal gas is rep...

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Main Authors: Bokun, G.S., Holovko, M.F.
Format: Article
Language:English
Published: Інститут фізики конденсованих систем НАН України 2018
Series:Condensed Matter Physics
Online Access:http://dspace.nbuv.gov.ua/handle/123456789/157632
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spelling irk-123456789-1576322019-06-21T01:29:21Z Cluster expansion for the description of condensed state: crystalline cell approach Bokun, G.S. Holovko, M.F. A well-known cluster expansion, which leads to virial expansion for the free energy of low density systems, is modified in such a way that it becomes applicable to the description of condensed state of matter. To this end, the averaging of individual clusters over the states of an ideal gas is replaced by the averaging over the states of a non-correlated crystal using single-particle cell potentials. As a result, we arrive at the expansion of the partition function in correlations on the basis of single-particle functions corresponding to the multiplicative approximation. The cell potentials defining these functions are found from the condition of the minimum of the remainder in the constructed decomposition. Широко вiдоме групове розвинення, яке приводить до вiрiального розвинення для вiльної енергiї розрiджених систем, модифiковано так, щоб його можна було застосовувати до конденсованого стану речовини. Для цього усереднення окремих кластерiв по станах iдеального газу замiнюється усередненням по станах некорельованого кристала, використовуючи комiрковi одночастинковi потенцiали. В результатi отримано розвинення статистичної суми по кореляцiях на базисi одночастинкових функцiй, якi вiдповiдають мультиплiкативному наближенню. Ґратковi потенцiали, що визначають вказанi функцiї, знаходяться з умови мiнiмiзацiї залишку в сконструйованому розвиненнi. 2018 Article Cluster expansion for the description of condensed state: crystalline cell approach / G.S. Bokun, M.F. Holovko // Condensed Matter Physics. — 2018. — Т. 21, № 4. — С. 43501: 1–16 . — Бібліогр.: 22 назв. — англ. 1607-324X PACS: 5.20.-y, 61.72jd, 64.30.-t, 65.40.-b DOI:10.5488/CMP.21.43501 arXiv:1812.08536 http://dspace.nbuv.gov.ua/handle/123456789/157632 en Condensed Matter Physics Інститут фізики конденсованих систем НАН України
institution Digital Library of Periodicals of National Academy of Sciences of Ukraine
collection DSpace DC
language English
description A well-known cluster expansion, which leads to virial expansion for the free energy of low density systems, is modified in such a way that it becomes applicable to the description of condensed state of matter. To this end, the averaging of individual clusters over the states of an ideal gas is replaced by the averaging over the states of a non-correlated crystal using single-particle cell potentials. As a result, we arrive at the expansion of the partition function in correlations on the basis of single-particle functions corresponding to the multiplicative approximation. The cell potentials defining these functions are found from the condition of the minimum of the remainder in the constructed decomposition.
format Article
author Bokun, G.S.
Holovko, M.F.
spellingShingle Bokun, G.S.
Holovko, M.F.
Cluster expansion for the description of condensed state: crystalline cell approach
Condensed Matter Physics
author_facet Bokun, G.S.
Holovko, M.F.
author_sort Bokun, G.S.
title Cluster expansion for the description of condensed state: crystalline cell approach
title_short Cluster expansion for the description of condensed state: crystalline cell approach
title_full Cluster expansion for the description of condensed state: crystalline cell approach
title_fullStr Cluster expansion for the description of condensed state: crystalline cell approach
title_full_unstemmed Cluster expansion for the description of condensed state: crystalline cell approach
title_sort cluster expansion for the description of condensed state: crystalline cell approach
publisher Інститут фізики конденсованих систем НАН України
publishDate 2018
url http://dspace.nbuv.gov.ua/handle/123456789/157632
citation_txt Cluster expansion for the description of condensed state: crystalline cell approach / G.S. Bokun, M.F. Holovko // Condensed Matter Physics. — 2018. — Т. 21, № 4. — С. 43501: 1–16 . — Бібліогр.: 22 назв. — англ.
series Condensed Matter Physics
work_keys_str_mv AT bokungs clusterexpansionforthedescriptionofcondensedstatecrystallinecellapproach
AT holovkomf clusterexpansionforthedescriptionofcondensedstatecrystallinecellapproach
first_indexed 2023-05-20T17:52:13Z
last_indexed 2023-05-20T17:52:13Z
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