Downloadable software (Gzipped Tar file | Tar file) from the textbook Quantum Mechanics in Chemistry by Jack Simons and Jeff Nichols, Oxford University Press, 1997.

Quantum Mechanics in Chemistry combines both introductory and modern quantum chemistry in a single volume. Unlike similar books, which concentrate on quantum physics and provide only brief examples of chemical applications, this unique work focuses on the topics a chemist needs to know. It provides an introduction to the fundamentals of quantum mechanics as they apply to chemistry, then moves on to the more modern aspects of the field, which are very important in industry and are not emphasized in any other book. It also includes introductions to molecular spectroscopy, chemical dynamics, and computational chemistry as applied to electronic structures. A disk of text-related computer programs and a large number of exercises, problems, and solutions further enhance the flexibility and utility of the volume for professionals in the field and other interested readers.

Readme files: readme_1st | readme_2nd

Individual downloads of source codes:

Examples from Chapter 4