GPED Simulator

Gas Phase Electron Diffraction

Douglas Cameron

GPED Program

This program, GPED.exe, will calculate the electron diffraction pattern produced by individual, randomly oriented, molecules. Such diffraction patterns have radial symmetry so that only the radial pattern density is of interest. Realistic noise, such as that caused by other background gases, can be added to the radial pattern. Once this pattern is obtained over some limited collection angles, it can be inverted to give a pair correlation function (PCF). This PCF represents the distribution of atomic distances within the molecule and it would be the result of any laboratory experiment.

C60This program was specifically designed to investigate the feasibility of electron diffraction on molecules levitated in a radio frequency trap.

GPED.exe is a Windows executable. The executable and a few support files are located in a zipped file here.

Using the program, a brief introduction:

signal Note that this program is intended for experimental simulation not mass distribution. No harm can be done in running the program incorrectly. However, due to its highly technical and exploratory nature, many features are indicated only in the source code. If you have interest in those features, please contact me.

Source code is available from the author on request. It uses the AlphaSquared graphical user interface.

Development of this program was funded primarily by The Rowland Institute for Science, under the direction of Joel Parks. The program was written exclusively by Douglas Cameron.