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Supercomputer simulations of multiple-quantum dynamics of nuclear spins in solids
I. Ya. Ginzburg, S. I. Doronin, I. I. Maximov Institute of Problems of Chemical Physics, Russian Academy of Sciences
Abstract:
The effective algorithm is proposed for numerical solution of exactly solvable problems of intensities of multiple-quantum (MQ) coherences for one-dimensional systems of nuclear spins in solids. The detail description of the algorithm is given and it is shown its advantages in a comparison with other algorithms for such problems. The algorithm is realized as a program complex both for supercomputer systems with a flat RAM memory and for cluster ones with a distributed memory. The result of calculations of dynamics of a fifteen-spin system, which is described by the $2^{15}\times2^{15}$ matrix containing more than billion elements, is represented. The obtained results are applied to investigations of structures and dynamical processes in solids.
Received: 07.06.2001
Citation:
I. Ya. Ginzburg, S. I. Doronin, I. I. Maximov, “Supercomputer simulations of multiple-quantum dynamics of nuclear spins in solids”, Matem. Mod., 14:10 (2002), 3–16
Linking options:
https://www.mathnet.ru/eng/mm533 https://www.mathnet.ru/eng/mm/v14/i10/p3
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