SPIDYAN, a MATLAB library for simulating pulse EPR experiments with arbitrary waveform excitation

Journal of Magnetic Resonance
Stephan PribitzerGunnar Jeschke

Abstract

Frequency-swept chirp pulses, created with arbitrary waveform generators (AWGs), can achieve inversion over a range of several hundreds of MHz. Such passage pulses provide defined flip angles and increase sensitivity. The fact that spectra are not excited at once, but single transitions are passed one after another, can cause new effects in established pulse EPR sequences. We developed a MATLAB library for simulation of pulse EPR, which is especially suited for modeling spin dynamics in ultra-wideband (UWB) EPR experiments, but can also be used for other experiments and NMR. At present the command line controlled SPin DYnamics ANalysis (SPIDYAN) package supports one-spin and two-spin systems with arbitrary spin quantum numbers. By providing the program with appropriate spin operators and Hamiltonian matrices any spin system is accessible, with limits set only by available memory and computation time. Any pulse sequence using rectangular and linearly or variable-rate frequency-swept chirp pulses, including phase cycling can be quickly created. To keep track of spin evolution the user can choose from a vast variety of detection operators, including transition selective operators. If relaxation effects can be neglected, the progra...Continue Reading

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Citations

Oct 21, 2016·Journal of Magnetic Resonance·Stephan PribitzerGunnar Jeschke
Jun 25, 2016·Physical Chemistry Chemical Physics : PCCP·Claudia E Tait, Stefan Stoll

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