Geodesic
Entanglement of electrons in interacting molecules
Teoretičeskaâ i matematičeskaâ fizika, Tome 152 (2007) no. 2, pp. 321-338 Cet article a éte moissonné depuis la source Math-Net.Ru

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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.
Mots-clés : entanglement
Keywords: electron correlation energy, interacting molecules. 
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T. A. Maiolo; F. Della Sala; L. Martina; G. Soliani. Entanglement of electrons in interacting molecules. Teoretičeskaâ i matematičeskaâ fizika, Tome 152 (2007) no. 2, pp. 321-338. http://geodesic.mathdoc.fr/item/TMF_2007_152_2_a8/

[1] M. A. Nielsen, I. L. Chuang, Quantum Computation and Quantum Information, Cambridge, Cambridge Univ. Press, 2000 | MR | Zbl

[2] C. H. Bennet, G. Brassard, C. Crépeau et al., Phys. Rev. Lett., 70 (1993), 1895 | DOI | MR | Zbl

[3] C. H. Bennet, S. J. Wiesner, Phys. Rev. Lett., 69 (1992), 2881 | DOI | MR | Zbl

[4] A. K. Ekert, Phys. Rev. Lett., 67 (1991), 661 | DOI | MR | Zbl

[5] C. A. Fuchs, Phys. Rev. Lett., 79 (1997), 1162 | DOI

[6] S. Ghosh, T. F. Rosenbaum, G. Aeppli, S. N. Coppersmith, Nature, 425 (2003), 48 | DOI | MR

[7] Y. Chen, P. Zanardi, Z. D. Wang, F. C. Zhang, New J. Phys., 8 (2006), 97 ; quant-ph/0407228 | DOI

[8] L. He, G. Bester, A. Zunger, Phys. Rev. B, 72 (2005), 195307 ; cond-mat/0503492 | DOI

[9] F. Buscemi, P. Bordone, A. Bertoni, Phys. Rev. A, 73 (2006), 052312 ; quant-ph/0602127 | DOI | MR

[10] J. Schliemann, J. I. Cirac, M. Kuś et al., Phys. Rev. A, 64 (2001), 022303 | DOI | MR

[11] G. C. Ghirardi, L. Marinatto, Phys. Rev. A, 70 (2004), 012109 | DOI

[12] Z. Huang, S. Kais, Chem. Phys. Lett., 413 (2005), 1 | DOI

[13] W. Harneit, Phys. Rev. A, 65 (2002), 032322 | DOI

[14] D. M. Collin, Z. Naturforsch A, 48 (1993), 68

[15] J. C. Ramírez, C. Soriano, R. O. Esquivel et al., Phys. Rev. A, 56 (1997), 4477 | DOI

[16] A. Szabo, N. S. Ostlund, Modern Quantum Chemistry. Introduction to Advanced Electronic Structure Theory, McGraw-Hill, New York, 1989

[17] E. Schrödinger, Naturwissenschaften, 23 (1935), 807 | DOI | Zbl

[18] A. C. Doherty, P. A. Parrilo, F. M. Spedalieri, Phys. Rev. Lett., 88 (2002), 187904 | DOI

[19] B. d'Espagnat, Conceptual Foundations of Quantum Mechanics, 2nd ed., Math. Phys. Monogr. Ser., 20, Benjamin, Reading, MA, 1976 | MR

[20] I. fon Neiman, Matematicheskie osnovy kvantovoi mekhaniki, Nauka, M., 1964 | MR | MR | Zbl | Zbl

[21] J. R. Gittings, A. J. Fisher, Phys. Rev. A, 66 (2002), 032305 | DOI

[22] J. Paldus, P. E. S. Wormer, F. Visser, A. van der Avoird, J. Chem. Phys., 76 (1982), 2458 | DOI

[23] G. E. Scuseria, A. C. Scheiner, T. J. Lee et al., J. Chem. Phys., 86 (1987), 2881 | DOI

[24] P. Zanardi, Phys. Rev. A, 65 (2002), 042101 | DOI | MR

[25] C. H. Bennett, H. Bernstein, S. Popescu, B. Schumacher, Phys. Rev. A, 53 (1996), 2046 | DOI

[26] A. D. Gottlieb, N. J. Mauser, Phys. Rev. Lett., 95 (2005), 123003 | DOI

[27] R. Grobe, K. Rzazewski, J. H. Eberly, J. Phys. B, 27 (1994), L503 | DOI

[28] P. Gersdorf, W. John, J. P. Perdew, P. Ziesche, Internat. J. Quantum Chem., 61 (1997), 935 | 3.0.CO;2-X class='badge bg-secondary rounded-pill ref-badge extid-badge'>DOI

[29] M. J. Frisch et al., Gaussian98, Revision A. 11.3, Gaussian, Pittsburgh, PA, 1998

[30] J. Čížek, J. Chem. Phys., 45 (1966), 4256 | DOI

[31] G. E. Scuseria, C. L. Janssen, H. F. Schaefer III, J. Chem. Phys., 89 (1988), 7382 | DOI