Chemical bond and entanglement of electrons in the hydrogen molecule

  title={Chemical bond and entanglement of electrons in the hydrogen molecule},
  author={Nikos Iliopoulos and Andreas F. Terzis School of Natural Sciences and University of Patras and Greece.},
  journal={arXiv: Quantum Physics},
We theoretically investigate the quantum correlations (in terms of concurrence of indistinguishable electrons) in a prototype molecular system (hydrogen molecule). With the assistance of the standard approximations of the linear combination of atomic orbitals and the configuration interaction methods we describe the electronic wavefunction of the ground state of the H2 molecule. Moreover, we managed to find a rather simple analytic expression for the concurrence (the most used measure of… 

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