Abstract:<div><div><div><p>The global magnetic phase diagram for fused azulene oligomers is obtained by using a fermionic Hubbard Hamiltonian, a intermediate model between the molecular (Pariser-Parr-Pople empiric Hamiltonian) and spin-1/2 antiferromagnetic Heisenberg approaches. As a function of the on-site coulomb repulsion and the oligomer size we show that fused azulene transitions from a singlet (S = 0) to a higher-spin (S = 1, 2, 3) ground state. Near the quantum magnetic phase transition … Show more
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