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Calculation of Fullerene Parameters by the Implemented One-Dimensional Method for Determination of Eigenvalues and Eigenfunctions in One-Dimensional Clusters of Planar, Cylindrical, and Spherical Geometry

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dc.contributor.authorYudina, N. V.
dc.contributor.authorSadykov, N. R.
dc.date.accessioned2024-11-21T08:36:25Z
dc.date.available2024-11-21T08:36:25Z
dc.date.issued2019
dc.description.abstract© 2019, Pleiades Publishing, Ltd. The eigenvalues and eigenfunctions for clusters with planar, cylindrical, and spherical geometry with arbitrary potential energy profiles were calculated by means of an implemented algorithm. The results of numerical and analytical solutions for clusters of various geometry were compared. The proposed algorithm for determination of cluster eigenvalues and eigenfunctions shows a power law rate of convergence of the solution towards the target eigenfunction coinciding with the rate of convergence in the modified Wielandt method. This algorithm was used to calculate the geometrical potential of giant fullerene as a function of radius for the state with l = 0. The numerical results are in good agreement with the theoretical results.
dc.format.extentС. 98-107
dc.identifier.citationYudina, N. V. Calculation of Fullerene Parameters by the Implemented One-Dimensional Method for Determination of Eigenvalues and Eigenfunctions in One-Dimensional Clusters of Planar, Cylindrical, and Spherical Geometry / Yudina, N.V., Sadykov, N.R. // Russian Journal of Inorganic Chemistry. - 2019. - 64. - № 1. - P. 98-107. - 10.1134/S0036023619010212
dc.identifier.doi10.1134/S0036023619010212
dc.identifier.urihttps://www.doi.org/10.1134/S0036023619010212
dc.identifier.urihttps://www.scopus.com/record/display.uri?eid=2-s2.0-85065461641&origin=resultslist
dc.identifier.urihttp://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=Alerting&SrcApp=Alerting&DestApp=WOS_CPL&DestLinkType=FullRecord&UT=WOS:000472433300014
dc.identifier.urihttps://openrepository.mephi.ru/handle/123456789/18015
dc.relation.ispartofRussian Journal of Inorganic Chemistry
dc.titleCalculation of Fullerene Parameters by the Implemented One-Dimensional Method for Determination of Eigenvalues and Eigenfunctions in One-Dimensional Clusters of Planar, Cylindrical, and Spherical Geometry
dc.typeArticle
dspace.entity.typePublication
oaire.citation.issue1
oaire.citation.volume64
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relation.isOrgUnitOfPublication.latestForDiscoveryfaa2d3f3-2c12-497e-b561-3e6e3d8c9faa
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