Multiple decoherence-free states in multi-spin systems.

A numerical procedure is presented for mapping the vicinity of the null-space of the spin relaxation superoperator. The states populating this space, i.e. those with near-zero eigenvalues, of which the two-spin singlet is a well-studied example, are long-lived compared to the conventional T(1) and T(2) spin-relaxation times. The analysis of larger spin systems described herein reveals the presence of a significant number of other slowly relaxing states. A study of coupling topologies for n-spin systems (4≤n≤8) suggests the symmetry requirements for maximising the number of long-lived states.

Spinach--a software library for simulation of spin dynamics in large spin systems.

We introduce a software library incorporating our recent research into efficient simulation algorithms for large spin systems. Liouville space simulations (including symmetry, relaxation and chemical kinetics) of most liquid-state NMR experiments on 40+ spin systems can now be performed without effort on a desktop workstation. Much progress has also been made with improving the efficiency of ESR, solid state NMR and Spin Chemistry simulations. Spinach is available for download at http://spindynamics.org.

Strategies for state space restriction in densely coupled spin systems with applications to spin chemistry.

We propose three basis screening methods for state space restriction in Liouville space simulations of large densely coupled spin systems encountered in electron paramagnetic resonance (EPR) spectroscopy and spin chemistry. The methods are based on conservation law analysis, symmetry factorization, and the analysis of state space connectivity graphs. A reduction in matrix dimensions by several orders of magnitude is demonstrated for common EPR and spin chemistry systems.