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Manuscript Title: Computer simulation of FT-NMR multiple pulse experiment.
Authors: A. Allouche, G. Pouzard
Program title: SIMULDENS
Catalogue identifier: ABHL_v1_0
Distribution format: gz
Journal reference: Comput. Phys. Commun. 54(1989)171
Programming language: Pascal.
Computer: DEC VAX 11/750.
Operating system: VMS 4.2.
Peripherals: disc.
Keywords: Molecular physics, Spectra, FT-NMR, Spin density matrix, Product operator formalism, Multiple pulse experiment.
Classification: 16.2.

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.

Solution method:
The spin density matrix is described using the product operator formalism. The simulation program is quite general and includes non selective or semi-selective pulses of arbitrary phase and irradiation from a broad band decoupler. The observable transverse magnetization My = Tr{Fy sigma(t)} is stored in a disk file. A program code is also provided to combine the transverse observables resulting from signal accumulation.

The only restriction is the CPU storage required. The spin system can include more nuclei if the user can obtain a larger memory storage.

Running time:
Depends largely upon the pulse sequence and the spin system. See output test.