Maximally entangled states in the Hydrogen molecule: The role of spin and correlation

Details Maximally entangled states in the Hydrogen molecule: The role of spin and correlation Maximally entangled states in the Hydrogen molecule: The role of spin and correlation

2010-07-19

arxiv.org/abs/1007.3112v1

Physics

Quantum Physics

Scientific paper

By going beyond Hubbard Hamiltonian we reflected correlation effects accurately in the wavefunctions of H2. Using ab initio e-e interaction parameters resulted maximally entangled ground and third excited states. We assigned this maximally entangled character to the nonmagnetic (S=0) property of these states and also the minimally entangled character of the first excited states to its magnetic property. By switching on a magnetic field an entangled state with Sz = 0 can be extracted from a minimally entangled degenerate magnetic state. We suggest that presence of a moderate correlated system and a non-magnetic (Sz = 0) electronic state can be two criteria for finding maximally entangled electronic states in a realistic molecular system.

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