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Providing students with adequate access to symbolic software often presents
a barrier to using that software in teaching. This is especially true for smaller
departments where computer resources in the student laboratories become inaccessible
in evenings and on weekends. Several possibilities exist for greater accessibility.
One approach is to install the symbolic software on several computers in one
of the general-purpose, late-closing campus computer laboratories. The number
of copies of the software would be determined by the needs of the courses requiring
its use. In this scenario students needing the software for homework or laboratory
reports would have first priority for using these computers.
Another approach is to use an ACS student affiliates meeting/study room. Two
or three computers with installed software would serve the needs of students for
a variety of course-related activities. There is nothing more effective than group
work and peer interaction for spurring progress in software skill development
and concept mastery.
A third option is for the department to purchase sufficient copies of the software
to lend to students. The software would be collected at the end of the course
and be available to lend again the following year. This approach would permit
approximately 3–4 years of software use if one were willing to use an older version
in the later years. This is not a major issue because even the most advanced topics
in undergraduate physical chemistry courses are handled adequately by software
versions that are 2 or 3 generations old. Costs, when leveraged over several years,
are manageable and fall in line with other disposable materials, such as chemicals
and glassware, used by a chemistry department.
The last alternative is to ask students to purchase a copy of the latest version
of the software or to try to purchase a used older version. For example, a used
copy of Mathcad 6, 7, or 8 would be useful for drafting documents at home that
can be later polished on campus with the version of Mathcad used for the course.
This poses no problem for students because the style of entry of information is
similar across the last few versions of Mathcad.
Student access to software is only valuable when paired with well-crafted documents
that enhance learning. In this column we introduce several new Mathcad templates
that meet the latter criterion.
Glenn Lo has developed exercises that enable students to understand the Bohr
Correspondence Principle. Lo elegantly uses collapsed regions as an accessory
to developing the topic. The first part of Lo's document can be used in the quantum
chemistry curriculum just after completion of the particle in the box discussion.
Other parts of the document focus on the harmonic oscillator and hydrogen atom.
This makes the document useful as a review of concepts in a new context throughout
the course. The documents come in both student and faculty versions.
Keith Dunn provides students with an understandable introduction to the variational
method. Linear combinations of particle-in-a-box basis functions form approximate
solutions to the Schrödinger equation for the harmonic oscillator. Students then
explore the concepts of the variational method as preparation for understanding
more complex molecular orbital calculations.
The last document, by James LoBue, provides a detailed introduction of the
Hückel molecular orbital method. This document builds on the concepts learned in Dunn's Variational Mathcad document and introduces students to matrix methods for determining the energy levels and molecular orbitals for a conjugated molecule.
This prepares students to learn the more advanced molecular orbital calculation methods found in many molecular modeling programs.
The documents presented here can be used with Mathcad 8, Mathcad 2001, or higher
versions of Mathcad. All of the documents in this column would make very good
accessory physical chemistry laboratory activities when coupled to an appropriate
experiment such as the UV–vis studies of conjugated dyes.
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