| Abstrakt: |
An algorithm for the time-domain simulation of electron spin echoes from oriented nitroxide spin probes is described. Starting with any prescription for trajectories of motion of individual molecules, the time-dependent Schrödinger equation is solved in the presence of microwave pulses of arbitrary shape, phase, and frequency. The expectation values of the individual electron magnetic moments are then found, and from them, the ensemble behavior of the electron magnetization is calculated. As an example of the algorithm's utility, the time evolution of spectra obtained from a Hahn spin echo with hard pulses is shown, and then compared with results obtained with a phase-cycled selective 90°–180° pulse sequence. The time dependence of the latter is shown to be exponential, in agreement with experiment, and a variation of phase-memory time across each spectrum is demonstrated. |
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