Considerations on Hund's first rule in a planar two-electron quantum dot

Schröter, Sebastian; Friedrich, Harald; Madroñero, Javier

doi:10.1103/physreva.87.042507

Cited by 17 publications

(23 citation statements)

References 34 publications

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“…It is seen that the agreement is quite good within those of the uncertainties set in Ref. [17,18]. Also in Table 8, we show other recent results for comparison [23][24][25][26].…”

Section: Calculations and Resultssupporting

confidence: 83%

“…As for the entanglement in the triplet-spin states in the helium atom, our results are also compared with those in Ref. [17,18] in which the entanglement was calculated using Kinoshita-type wave functions, and the needed 12-dimensional integrals were treated by Monte-Carlo integration routines. It is seen that the agreement is quite good within those of the uncertainties set in Ref.…”

Section: Calculations and Resultsmentioning

confidence: 98%

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Quantum entanglement for two electrons in the excited states of helium-like systems

Lin

2015

Can. J. Phys.

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Quantum entanglement for the two electrons in excited states of the helium-like atom/ions is investigated using two-electron wave functions constructed by the B-Spline basis. As a measure of spatial (electron-electron orbital) entanglement, the von Neumann entropy and linear entropy of the reduced density matrix are calculated for the 1s2s 1,3 S excited states for systems with some selected Z values from Z=2 to Z=100. Results for the helium atom are compared with other available calculations. We have also investigated the entropies for these excited states when the nucleus charge is reduced from Z=2 continuously to Z=1. At such a critical charge, all the singly-excited states of this system become unbound, and the linear entropies and the von Neumann entropies for the excited states are approaching 1/2 and 1, respectively, the limits for the entropies when one electron is bound to the nucleus, and the other being free.

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“…It is seen that the agreement is quite good within those of the uncertainties set in Ref. [17,18]. Also in Table 8, we show other recent results for comparison [23][24][25][26].…”

Section: Calculations and Resultssupporting

confidence: 83%

Section: Calculations and Resultsmentioning

confidence: 98%

Quantum entanglement for two electrons in the excited states of helium-like systems

Lin

2015

Can. J. Phys.

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“…We will measure the entanglement in the ground-state of the system under consideration by the vN and linear entropy, which in the case of the singlet states have the forms [18,42] …”

Section: Methodsmentioning

confidence: 99%

Entanglement in helium atom confined in an impenetrable cavity

Kościk

Saha

2015

Eur. Phys. J. D

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We explore ground-state entanglement properties of helium atom confined at the center of an impenetrable spherical cavity of varying radius by using explicitly correlated Hylleraas-type basis set. Results for the dependencies of the von Neumann and linear entanglement entropic measures on the cavity radius are discussed in details. Some highly accurate numerical results for the von Neumann and linear entropy are reported for the first time. It is found that the transition to the strong confinement regime is manifested by the entropies as an appearance of the inflection points on their variations.

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“…Other interesting results concerning quantum entanglement in atomic and related systems have been reported in Refs. . The quantum entanglement‐related aspects of the dissociation process of homo‐ and heteronuclear diatomic molecules have been investigated in Ref.…”

Section: Introductionmentioning

confidence: 99%

Quantum information from selected elementary chemical reactions: Maximum entangled transition state

Esquivel

Molina-Espíritu²,

Plastino

et al. 2015

Int J of Quantum Chemistry

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Quantum entanglement features exhibited by the reaction path of some selected elementary chemical reactions: hydrogenic abstraction, nucleophilic hydrogenic substitution, three‐atom insertion reaction of silylene into hydrogen, and the cycloaddition of cyclopentadiene into anhydride maleic are investigated in this work. The phenomenological behavior of these reactions is described by two of the fundamental descriptors of the molecular densities, the atomic charges, and the electric potentials, to associate the maximum entangled transition state (METS) to the concurrent processes of the chemical reactions. It is found that the METS characterizes the transition state of symmetrical reactions; and for nonsymmetrical ones, it features a new critical point along the intrinsic reaction path. In addition, benchmark calculations of the relevant quantitative entanglement measures for the critical points of these reactions are reported. © 2015 Wiley Periodicals, Inc.

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Considerations on Hund's first rule in a planar two-electron quantum dot

Cited by 17 publications

References 34 publications

Quantum entanglement for two electrons in the excited states of helium-like systems

Quantum entanglement for two electrons in the excited states of helium-like systems

Entanglement in helium atom confined in an impenetrable cavity

Quantum information from selected elementary chemical reactions: Maximum entangled transition state

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