2010/07/19 by Mohsen Babamoradi, M. Babamoradi, Mehdi Heidari Saani +5
Physics and Astronomy · #Advanced Thermodynamics and Statistical Mechanics #FOS: Physical sciences #Quantum Mechanics and Applications #Quantum Physics (quant-ph) #Quantum, superfluid, helium dynamics #quant-ph
paper · pdf · doi:10.48550/arxiv.1007.3112
arxiv created 2010/07/19 · openalex publication_date 2010/07/19 · arxiv updated 2010/07/20 · openalex created_date 2025/10/10 · openalex updated_date 2026/07/28
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.