Computer simulation of FT-NMR multiple pulse experiment

Abstract Using the product operator formalism in its real form, SIMULDENS expands the density matrix of a scalar coupled nuclear spin system and simulates analytically a large variety of FT-NMR multiple pulse experiments. The observable transverse magnetizations are stored and can be combined to represent signal accumulation. The programming language is VAX PASCAL, but a MacIntosh Turbo Pascal Version is also available. Title of program: SIMULDENS Catalogue Id: ABHL_v1_0 Nature of problem The program SIMULDENS derives analytically the density matrix of a system of N weakly coupled spin-1/2 nuclei (N </= 4 in this version) during a pulse sequence. Versions of this program held in the CPC repository in Mendeley Data ABHL_v1_0; SIMULDENS; 10.1016/0010-4655(89)90042-8 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)摘要 本程序采用实形式积算符形式体系（product operator formalism），对标量耦合核自旋系统的密度矩阵（density matrix）进行展开，并以解析方式模拟各类傅里叶变换核磁共振（FT-NMR）多脉冲实验。程序将存储可观测横向磁化强度，并可将其组合以实现信号累加。该程序基于VAX PASCAL语言编写，同时也提供MacIntosh Turbo Pascal版本。 程序名称：SIMULDENS 目录编号：ABHL_v1_0 问题本质 SIMULDENS程序可在脉冲序列执行过程中，解析推导由N个弱耦合自旋1/2核（本版本中N≤4）组成的系统的密度矩阵。 Mendeley数据集中CPC库收录的本程序版本：ABHL_v1_0；SIMULDENS；10.1016/0010-4655(89)90042-8 本程序源自贝尔法斯特女王大学托管的CPC程序库（1969-2019年）