Volume 111, Number 4, August 2015
|Number of page(s)||5|
|Published online||04 September 2015|
Correlation energy as a measure of non-locality: Quantum entanglement of helium-like systems
1 Departamento de Química, Universidad Autónoma Metropolitana - 09340-México, D.F., Mexico
2 Instituto Carlos I de Física Teórica y Computacional, Universidad de Granada - 18071-Granada, Spain
3 Departamento de Física Aplicada II, Universidad de Sevilla - 41012-Sevilla, Spain
4 Departamento de Física Atómica, Molecular y Nuclear, Universidad de Granada - 18071-Granada, Spain
Received: 20 April 2015
Accepted: 11 August 2015
In this work we discuss the essential quantum origin of correlation energy as measured through the wave function regardless of any extrinsic Hamiltonian. The ambiguous physical meaning of correlation energy is clarified by identifying the non-dynamical correlations inherent in the system state of Slater rank different than one with the quantum phenomenon of nonlocality. This is achieved by relating correlation energy to entanglement as measured through the von Neumann and the linear entropies. Indeed, for helium-like systems with varying Z we observe one-to-one correspondence between entanglement and correlation energy. We present numerical evidence of the linear relation between the correlation energy and the quantum entanglement for various members of the helium isoelectronic series by use of highly correlated wave functions of configuration-interaction type.
PACS: 03.67.Bg – Entanglement production and manipulation / 03.67.-a – Quantum information / 31.15.V- – Electron correlation calculations for atoms, ions and molecules
© EPLA, 2015
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