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Updated: Oct 9, 2025

Spin Saturation Transfer Difference NMR SSTD NMR: A New Tool to Obtain Kinetic Parameters of Chemical Exchange Processes
Published on: November 12, 2016
Energy balance and energy correction in dynamics of classical spin systems
1Department of Physics, Herbert H. Lehman College and Graduate School, City University of New York, 250 Bedford Park Boulevard West, Bronx, New York 10468-1589, USA.
Abstract:
An energy-correction method is proposed as an addition to mainstream integrators for equations of motion of systems of classical spins. This solves the problem of nonconservation of energy in long computations and makes mainstream integrators competitive with symplectic integrators for spin systems that for different-site interactions conserve the energy explicitly. The proposed method is promising for spin systems with single-site interactions for which symplectic integrators do not conserve energy and thus have no edge against mainstream integrators. From the energy balance in the spin system with a phenomenological damping and Langevin fields, a formula for the dynamical spin temperature in the presence of single-site anisotropy is obtained.
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