dc.creator | López Rosa, Sheila | es |
dc.creator | Angulo Ibáñez, Juan Carlos | es |
dc.creator | Martín, A. L. | es |
dc.creator | Antolín Coma, Juan | es |
dc.date.accessioned | 2022-07-19T08:04:30Z | |
dc.date.available | 2022-07-19T08:04:30Z | |
dc.date.issued | 2021-07-22 | |
dc.identifier.citation | López Rosa, S., Angulo Ibáñez, J.C., Martín, A.L. y Antolín Coma, J. (2021). Analysis of correlation and ionization from pair distributions in many-electron systems. The European Physical Journal Plus, 136 (7(763)) | |
dc.identifier.issn | 2190-5444 | es |
dc.identifier.uri | https://hdl.handle.net/11441/135522 | |
dc.description.abstract | Jensen–Shannon divergence is used to quantify the discrepancy between the Hartree–Fock pair density and the product of its marginals for different N-electron systems, enclosing neutral atoms (with nuclear charge Z = N) and singly-charged ions (N = Z ±1). This divergence measure is applied to determine the interelectronic correlation in atomic systems. A thorough study was carried out, by considering (i) both position and momentum conjugated spaces, and (ii) systems with a nuclear charge as far as Z = 103. The correlation among electrons was measured by comparing, for an arbitrary system, the double-variable
electron-pair density with the product of the respective one-particle densities. A detailed analysis throughout the Periodic Table highlights the relevance not only of weightiness for the systems considered, but also of their shell structure. Besides, comparative computations between two-electron densities of different atomic systems (neutrals, cations, anions) quantify their dissimilarities, patently governed by shell-filling patterns throughout the Periodic Table. | es |
dc.format | application/pdf | es |
dc.format.extent | 16 p. | es |
dc.language.iso | eng | es |
dc.publisher | Springer | es |
dc.relation.ispartof | The European Physical Journal Plus, 136 (7(763)) | |
dc.rights | Attribution-NonCommercial-NoDerivatives 4.0 Internacional | * |
dc.rights.uri | http://creativecommons.org/licenses/by-nc-nd/4.0/ | * |
dc.subject | Correlation | es |
dc.subject | Ionization | es |
dc.subject | Pair distributions | es |
dc.title | Analysis of correlation and ionization from pair distributions in many-electron systems | es |
dc.type | info:eu-repo/semantics/article | es |
dcterms.identifier | https://ror.org/03yxnpp24 | |
dc.type.version | info:eu-repo/semantics/publishedVersion | es |
dc.rights.accessRights | info:eu-repo/semantics/openAccess | es |
dc.contributor.affiliation | Universidad de Sevilla. Departamento de Física Aplicada II | es |
dc.relation.projectID | FIS2014-59311-P | es |
dc.relation.projectID | FQM-020 | es |
dc.relation.projectID | FQM-239 | es |
dc.relation.publisherversion | https://link.springer.com/content/pdf/10.1140/epjp/s13360-021-01747-8.pdf | es |
dc.identifier.doi | 10.1140/epjp/s13360-021-01747-8 | es |
dc.contributor.group | Universidad de Sevilla. FQM239: Fundamentos de Mecánica Cuántica | es |
dc.journaltitle | The European Physical Journal Plus | es |
dc.publication.volumen | 136 | es |
dc.publication.issue | 7(763) | es |
dc.contributor.funder | Ministerio de Economia, Industria y Competitividad (MINECO). España | es |
dc.contributor.funder | European Commission (EC). Fondo Europeo de Desarrollo Regional (FEDER) | es |
dc.contributor.funder | Junta de Andalucía | es |