NOTES on using the Mathematica Product Operator Notebooks


These Notebooks were written on a 19" monitor. We have recently
become aware that loading them on a computer with a small screen
(e.g. an SE) can result in line returns being entered which are
interpreted as multiplication. Even worse, commas can be removed
leaving a space, again implying multiplication. If you encounter
problems with these programs, this is most likely the reason.

Two Product Operator Notebooks are supplied here: Prod_Op_Cart
and Prod_Op_Sphere. The first uses product operators in the Cartesian
basis and the latter in the spherical basis. Documentation is included as
text in the notebooks themselves. Examples are included with both
programs in the individual command sections and at the end of the
programs at the beginning of the Workspace.

The notebooks are used by first initializing them, followed by entering
the commands in an interactive manner in the Workspace at the end
of the notebook. Both require that a working version of Mathematica
be installed. (They have been written using Mathematica version 1.2
and have been tested with version 2.03.)

Prod_Op_Cart was described in a paper in J. Magn. Res. 94, 612 (1991).
It contains a fairly large list of algebraic rules that continues to evolve
as we use the notebook. We have not taken the time to optimize this
list since we are running with a Silicon Graphics kernel. If you are
running on a Macintosh with a standard version of Mathematica, you
will find that use of the algebraic rules can become quite slow. If you
know of some tricks to make this run faster, we would certainly like to
hear about them.

Prod_Op_Sphere is adapted from Nakashima and McClung's paper (J.
Magn. Res. 70, 187 (1986)) and is described in a paper by myself that will
appear in the January issue of Concepts in Magnetic Resonance entitled
"Product Operators and Coherence Transfer in Multiple Pulse NMR
Experiments". A much smaller list of algebraic rules is needed here.

Please send any comments or modifications that you have found to be
useful to:
John W. Shriver
Chemistry Department
University of Alabama Huntsville
Huntsville, AL 35899

shriverj@uah.edu