Quantum entanglement of helium-like systems with varying-Z: compact state-of-the-art CI wave functions
| Autor: | Rodolfo O. Esquivel, Jesús S. Dehesa, Sheila López-Rosa, Ángel Ricardo Plastino |
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| Rok vydání: | 2015 |
| Předmět: |
Física Atómica
Molecular y Química Physics Helium atom Series (mathematics) Ciencias Físicas VON NEUMANN ENTANGLEMENT ENTROPY Quantum entanglement State (functional analysis) Condensed Matter Physics Squashed entanglement Atomic and Molecular Physics and Optics chemistry.chemical_compound symbols.namesake ENERGY CORRELATION VERSUS ENTANGLEMENT chemistry Quantum mechanics symbols LINEAR ENTANGLEMENT ENTROPY QUANTUM ENTANGLEMENT OF HELIUM-LIKE SYSTEMS Wave function CIENCIAS NATURALES Y EXACTAS Entanglement witness Von Neumann architecture |
| Zdroj: | Journal of Physics B: Atomic, Molecular and Optical Physics. 48:175002 |
| ISSN: | 1361-6455 0953-4075 |
| DOI: | 10.1088/0953-4075/48/17/175002 |
| Popis: | In this work we have performed state-of-the-art configuration-interaction (CI) calculations to determine the linear and von Neumann entanglement entropies for the helium-like systems with varying nuclear charge Z in the range . The focus of the work resides on determining accurate entanglement values for 2-electron systems with the lowest computational cost through compact CI-wave functions. Our entanglement results for the helium atom fully agree with the results obtained with higher quality wave functions of the Kinoshita type (Dehesa [5]). We find that the correlation energy is linearly related to the entanglement measures associated with the linear and von Neumann entropies of the single-particle reduced density matrizes, which sheds new light on the physical implications of entanglement in helium-like systems. Moreover, we report CI-wave-function-based benchmark results for the entanglement values for all members of the helium isoelectronic series with an accuracy similar to that of Kinoshita-type wave functions. Finally, we give parametric expressions of the linear and von Neumann entanglement measures for two-electron systems as Z varies from 1 to 10. Fil: López Rosa, S.. Universidad de Sevilla; España Fil: Esquivel, R. O.. Universidad de Granada; España Fil: Plastino, Angel Ricardo. Consejo Nacional de Investigaciones Científicas y Técnicas. Centro de Investigaciones y Transferencia del Noroeste de la Provincia de Buenos Aires. Universidad Nacional del Noroeste de la Provincia de Buenos Aires. Centro de Investigaciones y Transferencia del Noroeste de la Provincia de Buenos Aires; Argentina Fil: Dehesa, J. S.. Universidad de Granada; España |
| Databáze: | OpenAIRE |
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