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| Campo DC | Valor | Lengua/Idioma |
|---|---|---|
| dc.provenance | Facultad de Ciencias Exactas y Naturales de la UBA | - |
| dc.contributor | Alcoba, D.R. | - |
| dc.contributor | <div class="autor_fcen" id="984">Bochicchio, R.C.</div> | - |
| dc.contributor | Lain, L. | - |
| dc.contributor | Torre, A. | - |
| dc.creator | Alcoba, D.R. | - |
| dc.creator | <div class="autor_fcen" id="984">Bochicchio, R.C.</div> | - |
| dc.creator | Lain, L. | - |
| dc.creator | Torre, A. | - |
| dc.date.accessioned | 2018-05-04T21:59:44Z | - |
| dc.date.accessioned | 2018-05-28T15:47:55Z | - |
| dc.date.available | 2018-05-04T21:59:44Z | - |
| dc.date.available | 2018-05-28T15:47:55Z | - |
| dc.date.issued | 2010 | - |
| dc.identifier.uri | http://10.0.0.11:8080/jspui/handle/bnmm/68382 | - |
| dc.description | In this paper we propose a functional of the many-body cumulant of the second-order reduced density matrix within the spin-free formalism of quantum chemistry which quantifies the idea of electron correlation and allows one to detect spin entanglement. Its properties are rigorously stated and discussed for spin-adapted pure states. Numerical determinations are performed for both equilibrium conformations and dissociation processes in molecular systems. © 2010 American Institute of Physics. | - |
| dc.description | Fil:Bochicchio, R.C. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales; Argentina. | - |
| dc.format | application/pdf | - |
| dc.language | eng | - |
| dc.rights | info:eu-repo/semantics/openAccess | - |
| dc.rights | http://creativecommons.org/licenses/by/2.5/ar | - |
| dc.source | J Chem Phys 2010;133(14) | - |
| dc.source.uri | http://digital.bl.fcen.uba.ar/Download/paper/paper_00219606_v133_n14_p_Alcoba.pdf | - |
| dc.subject | Cumulants | - |
| dc.subject | Dissociation process | - |
| dc.subject | Equilibrium conformation | - |
| dc.subject | Many-body | - |
| dc.subject | Molecular systems | - |
| dc.subject | Pure state | - |
| dc.subject | Second-order reduced density | - |
| dc.subject | Spin entanglement | - |
| dc.subject | Dissociation | - |
| dc.subject | Electron correlations | - |
| dc.subject | Electron density measurement | - |
| dc.subject | Quantum entanglement | - |
| dc.title | On the measure of electron correlation and entanglement in quantum chemistry based on the cumulant of the second-order reduced density matrix | - |
| dc.type | info:eu-repo/semantics/article | - |
| dc.type | info:ar-repo/semantics/artículo | - |
| dc.type | info:eu-repo/semantics/publishedVersion | - |
| Aparece en las colecciones: | FCEN - Facultad de Ciencias Exactas y Naturales. UBA | |
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