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Derivatives of spin dynamics simulations

Derivatives of spin dynamics simulations
Derivatives of spin dynamics simulations
We report analytical equations for the derivatives of spin dynamics simulations with respect to pulse sequence and spin system parameters. The methods described are significantly faster, more accurate, and more reliable than the finite difference approximations typically employed. The resulting derivatives may be used in fitting, optimization, performance evaluation, and stability analysis of spin dynamics simulations and experiments.
0021-9606
234108-[8 pages]
Kuprov, Ilya
bb07f28a-5038-4524-8146-e3fc8344c065
Rodgers, Christopher T.
749e777d-8570-4d38-bc38-5221053af61c
Kuprov, Ilya
bb07f28a-5038-4524-8146-e3fc8344c065
Rodgers, Christopher T.
749e777d-8570-4d38-bc38-5221053af61c

Kuprov, Ilya and Rodgers, Christopher T. (2009) Derivatives of spin dynamics simulations. The Journal of Chemical Physics, 131 (23), 234108-[8 pages]. (doi:10.1063/1.3267086).

Record type: Article

Abstract

We report analytical equations for the derivatives of spin dynamics simulations with respect to pulse sequence and spin system parameters. The methods described are significantly faster, more accurate, and more reliable than the finite difference approximations typically employed. The resulting derivatives may be used in fitting, optimization, performance evaluation, and stability analysis of spin dynamics simulations and experiments.

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More information

Published date: 17 December 2009
Organisations: Computational Systems Chemistry

Identifiers

Local EPrints ID: 337123
URI: http://eprints.soton.ac.uk/id/eprint/337123
ISSN: 0021-9606
PURE UUID: f18d1ee7-b5ec-43c8-b2a5-e9101a6122ef
ORCID for Ilya Kuprov: ORCID iD orcid.org/0000-0003-0430-2682

Catalogue record

Date deposited: 19 Apr 2012 13:25
Last modified: 15 Mar 2024 03:43

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Contributors

Author: Ilya Kuprov ORCID iD
Author: Christopher T. Rodgers

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