This text is designed as a practical introduction to quantum
chemistry. Quantum chemistry is applied to explain and predict
molecular spectroscopy and the electronic structure of atoms and
molecules. In addition, the text provides a practical guide to
using molecular mechanics and electronic structure computations
including ab initio, semi-empirical, and density functional
methods. The use of electronic structure computations is a timely
subject as its applications in both theoretical and experimental
chemical research is increasingly prevalent. This text is written
in a format that fosters mastery of the subject both in competency
in the mathematics and in obtaining a conceptual understanding of
quantum mechanics. The chemistry student's interest is maintained
early on in the text where quantum mechanics is developed by
applying it to molecular spectroscopy and through conceptual
questions labeled as Chemical Connection. Questions throughout the
text labeled as Chemical Connection and Points of Further
Understanding focus on conceptual understanding and consequences of
quantum mechanics. If an Instructor chooses, these questions can be
used as a basis for classroom discussion encouraging cooperative
learning techniques. This text provides a solid foundation from
which students can readily build further knowledge of quantum
chemistry in more advanced courses. In cases where this is a final
course in quantum chemistry, this text provides the student not
only with an appreciation of the importance of quantum mechanics to
chemistry, but also with a practical guide to using electronic
structure computations.
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