This work studies the ability of the two-center local spin quantities, provided by the partitioning of the expectation value of the spin-squared operator math formula corresponding to N-electron systems, for determining ...

Electronic structure computations have been performed on diradical systems composed of two carborane radicals CB11H12 connected through acetylene, ethylene and ethane bridge units, leading, respectively, to a linear and ...

In a previous work, we reported the electronic structure of dimer diradicals composed of two S = ½ closo-carborane CB11H· 12 structural units (Theor. Chem. Acc. (2013) 132: 1329). That work has been extended here in order ...

The connection of 12 s = ½ closo-azadodecaborane radical units (NB11H11•), where a hydrogen atom is removed from the nitrogen atom, produces a supericosahedron [(NB11H6•)12](S), S being the total spin of the system. This ...

This work extends the previously reported studies (Oliva et al. in Theor Chem Acc 132:1329, 2013, Theor Chem Acc 134:9, 2015) on electronic structures of simple polyhedral polyradicals constructed from s = ½ closo-carborane ...

Quantum communication consists in transferring quantum states from one place to another. One of its most well known applications is quantum key distribution, in which a random secret key with security guaranteed by the ...

We investigate the effect of dimensional crossover in the ground state of the antiferromagnetic spin-1 Heisenberg model on the anisotropic triangular lattice that interpolates between the regime of weakly coupled Haldane ...

The phase diagram of a frustrated spin-S zig–zag ladder is studied through different numerical and analytical methods. We show that for arbitrary S, there is a family of Hamiltonians for which a fully-dimerized state is ...

An analytic solution for the Heisenberg Hamiltonian with arbitrarily long-range, ferromagnetic and/or antiferromagnetic, interactions on a Bethe lattice is obtained in the semiclassical approximation (S→∞). The density of ...