{"title":"脉冲EPR SECSY和Echo-ELDOR信号的严格计算:脉冲期间包含静态哈密顿量和弛豫量","authors":"S. Misra","doi":"10.24218/jatpr.2019.20","DOIUrl":null,"url":null,"abstract":"A procedure is developed to calculate pulsed electron paramagnetic resonance (EPR) signals with relaxation rigorously including the static Hamiltonian and relaxation during pulses by solving Liouville von Neumann (LVN) equation numerically in Liouville space. It can be carried out within a reasonable time on a PC using Fortran or Matlab. It is illustrated here numerically, as coded in Matlab, to calculate the spin echo correlation spectroscopy (SECSY) and echoelectron-electron double resonance (echo-ELDOR) signals for a coupled electron-nuclear system with the electron spin (S= 1⁄2.) and nuclear spin (I= 1⁄2) for the experimental results of Lee, Patyal and Freed [1] in a malonic acid single crystal.","PeriodicalId":325731,"journal":{"name":"Journal of Applied and Theoretical Physics Research","volume":null,"pages":null},"PeriodicalIF":0.0000,"publicationDate":"2019-09-23","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"1","resultStr":"{\"title\":\"A Rigorous Calculation of Pulsed EPR SECSY and Echo-ELDOR Signals: Inclusion of Static Hamiltonian and Relaxation during Pulses\",\"authors\":\"S. Misra\",\"doi\":\"10.24218/jatpr.2019.20\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"A procedure is developed to calculate pulsed electron paramagnetic resonance (EPR) signals with relaxation rigorously including the static Hamiltonian and relaxation during pulses by solving Liouville von Neumann (LVN) equation numerically in Liouville space. It can be carried out within a reasonable time on a PC using Fortran or Matlab. It is illustrated here numerically, as coded in Matlab, to calculate the spin echo correlation spectroscopy (SECSY) and echoelectron-electron double resonance (echo-ELDOR) signals for a coupled electron-nuclear system with the electron spin (S= 1⁄2.) and nuclear spin (I= 1⁄2) for the experimental results of Lee, Patyal and Freed [1] in a malonic acid single crystal.\",\"PeriodicalId\":325731,\"journal\":{\"name\":\"Journal of Applied and Theoretical Physics Research\",\"volume\":null,\"pages\":null},\"PeriodicalIF\":0.0000,\"publicationDate\":\"2019-09-23\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"1\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Journal of Applied and Theoretical Physics Research\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://doi.org/10.24218/jatpr.2019.20\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"\",\"JCRName\":\"\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Applied and Theoretical Physics Research","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.24218/jatpr.2019.20","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
A Rigorous Calculation of Pulsed EPR SECSY and Echo-ELDOR Signals: Inclusion of Static Hamiltonian and Relaxation during Pulses
A procedure is developed to calculate pulsed electron paramagnetic resonance (EPR) signals with relaxation rigorously including the static Hamiltonian and relaxation during pulses by solving Liouville von Neumann (LVN) equation numerically in Liouville space. It can be carried out within a reasonable time on a PC using Fortran or Matlab. It is illustrated here numerically, as coded in Matlab, to calculate the spin echo correlation spectroscopy (SECSY) and echoelectron-electron double resonance (echo-ELDOR) signals for a coupled electron-nuclear system with the electron spin (S= 1⁄2.) and nuclear spin (I= 1⁄2) for the experimental results of Lee, Patyal and Freed [1] in a malonic acid single crystal.
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