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Teoreticheskaya i Matematicheskaya Fizika, 2007, Volume 152, Number 2, Pages 321–338
DOI: https://doi.org/10.4213/tmf6090 (Mi tmf6090) 		 
This article is cited in 6 scientific papers (total in 6 papers)

Entanglement of electrons in interacting molecules

T. A. Maioloa, F. Della Salab, L. Martinaa, G. Soliania

a Lecce University
b CNR – Istituto Nazionale per la Fisica della Materia
Full-text PDF (807 kB) Citations (6)
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DOI: https://doi.org/10.4213/tmf6090
Abstract: We use the concept of quantum entanglement to give a physical meaning to the electron correlation energy in systems of interacting electrons. The electron correlation is not directly observable, being defined as the difference between the exact ground state energy of the many-electron Schrödinger equation and the Hartree–Fock energy. Using the configuration interaction method for the hydrogen molecule, we calculate the correlation energy and compare it with the entanglement as a function of the nucleus–nucleus separation. In the same spirit, we analyze a dimer of ethylene, which represents the simplest organic conjugate system, changing the relative orientation and distance of the molecules to obtain the configuration corresponding to maximum entanglement.
Keywords: entanglement, electron correlation energy, interacting molecules.
English version:
Theoretical and Mathematical Physics, 2007, Volume 152, Issue 2, Pages 1146–1159
DOI: https://doi.org/10.1007/s11232-007-0098-9
Bibliographic databases:
Language: Russian
Citation: T. A. Maiolo, F. Della Sala, L. Martina, G. Soliani, “Entanglement of electrons in interacting molecules”, TMF, 152:2 (2007), 321–338; Theoret. and Math. Phys., 152:2 (2007), 1146–1159
Citation in format AMSBIB
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  • https://www.mathnet.ru/eng/tmf6090
  • https://doi.org/10.4213/tmf6090
  • https://www.mathnet.ru/eng/tmf/v152/i2/p321
    • This publication is cited in the following 6 articles:
    1. Ivan P. Christov, “Local Entanglement of Electrons in 1D Hydrogen Molecule”, Entropy, 25:9 (2023), 1308  crossref
    2. Morozov V.A., “Modeling the Dynamics of Secondary Photoreactions”, Russ. J. Phys. Chem. A, 95:8 (2021), 1735–1744  crossref  isi
    3. Laura K. McKemmish, Ross H. McKenzie, Noel S. Hush, Jeffrey R. Reimers, “Electron–vibration entanglement in the Born–Oppenheimer description of chemical reactions and spectroscopy”, Phys. Chem. Chem. Phys., 17:38 (2015), 24666  crossref
    4. Esquivel R.O., Flores-Gallegos N., Molina-Espiritu M., Plastino A.R., Carlos Angulo J., Antolin J., Dehesa J.S., “Quantum entanglement and the dissociation process of diatomic molecules”, Journal of Physics B: Atomic Molecular and Optical Physics, 44:17 (2011), 175101  crossref  mathscinet  adsnasa  isi  scopus
    5. Martina L., Ruggeri G., Soliani G., “Correlation Energy and Entanglement Gap in Continuous Models”, International Journal of Quantum Information, 9:3 (2011), 843–862  crossref  mathscinet  zmath  isi  scopus
    6. Mohammad Ali Vesaghi, Mohsen Babamoradi, Mehdi Heidari Saani, “Maximally Entangled States in the Hydrogen Molecule: The Role of Spin and Correlation”, JMP, 02:07 (2011), 664  crossref
    Citing articles in Google Scholar: Russian citations, English citations
    Related articles in Google Scholar: Russian articles, English articles
    		Теоретическая и математическая физика Theoretical and Mathematical Physics
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