Multiple quantum ͑MQ͒ nuclear magnetic resonance ͑NMR͒ spin dynamics are investigated analytically in infinite one-dimensional ͑1D͒ chains of spins 1/2. The representation of spin 1/2 operators with fermion field operators allows to calculate exactly the spin density operator, and hence NMR observables, under a variety of different conditions for 1D spin systems. The exact expressions are valid for all times and for a macroscopic number of coupled spins. The calculations for a 1D spin system initially at thermal equilibrium, and evolving under a 2-quantum/2-spin average dipolar Hamiltonian, in the presence of nearest-neighbor dipolar interactions yield MQ NMR spectra with 0-and 2-quantum coherences only. For a nonequilibrium initial condition with transverse magnetization, the analogous spin dynamics calculations produce MQ NMR spectra with all possible coherences of odd orders. Calculations at the level of perturbation theory, which include next-nearest-neighbor dipolar interactions, generate MQ spectra with higher even order coherences for equilibrium initial condition and evolution under a 2-quantum/2-spin propagator. Consideration of multiple spin correlations, 0-quantum coherences, and rf pulse imperfections are also presented. The relevance and implications of these theoretical results for comparison with the recent MQ NMR experiments of Yesinowski et al. on materials with quasi-one-dimensional distributions of spins, and for MQ NMR of solids in general are discussed.

We consider the multiple quantum (MQ) NMR dynamics of a gas of spin carrying molecules in nanocavities. MQ NMR dynamics is determined by the residual dipole-dipole interactions which are not averaged completely due to the molecular diffusion in nanopores. Since the averaged nonsecular Hamiltonian describing MQ NMR dynamics depends on only one coupling constant, this Hamiltonian commutes with the square of the total spin angular momentumÎ 2 . We use the basis of common eigenstates ofÎ 2 and the projection of I on the external magnetic field for investigation of MQ NMR dynamics. This approach allows us to study MQ NMR dynamics in systems consisting of several hundreds of spins. The analytical approximation of the stationary profile of MQ coherences is obtained. The analytical expressions for MQ NMR coherence intensities of the five-spin system in a nanopore are found. Numerical investigations allow us to find the dependencies of intensities of MQ coherences on their orders (the profiles of MQ coherences) in systems consisting of 600 spins and even more. It is shown that the stationary MQ coherence profile in the considered system is an exponential one.

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We review the concepts of quantum entanglement and quantum discord and present the entropic measures for these information correlations. We further provide examples demonstrating the presence of quantum information correlations in different paramagnetic materials with ferro- and antiferromagnetic coupling. The temperature behavior of the discord for atomic nuclear spins and decoherence of quantum states with electron and nuclear spins is discussed.

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We investigate the evolution of entanglement in multiple-quantum (MQ) NMR experiments in crystals with pairs of close nuclear spins-1/2. The initial thermodynamic equilibrium state of the system in a strong external magnetic field evolves under the non-secular part of the dipolar Hamiltonian. As a result, MQ coherences of the zeroth and plus/minus second orders appear. A simple condition for the emergence of entanglement is obtained. We show that the measure of the spin pair entanglement, concurrence, coincides qualitatively with the intensity of MQ coherences of the plus/minus second order and hence the entanglement can be studied with MQ NMR methods. We introduce an Entanglement Witness using MQ NMR coherences of the plus/minus second order.

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