Quantum Mechanics in Chemistry [Hardcover]

Written for beginning graduate students and advanced undergraduates, this unique text combines both introductory and modern quantum chemistry in a single volume. Unlike similar texts, which concentrate on quantum physics and provide only brief examples of chemical applications,QuantumMechanics in Chemistryfocuses 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 text. It also includes introductions to molecular spectroscopy, chemical dynamics, and computational chemistry as applied to electronic structures. The authors' websites offer text-related computer programs and a large number of exercises, problems, and solutions to further enhance the flexibility and utility value of the text for students, instructors, and professionals in the field. The publisher's website is linked to the authors' websites: see Appendix H for WWW addresses.

Section 1 The Basic Tools of Quantum Mechanics
1.Quantum Mechanics describes matter in terms of wavefunctions and energy levels. Physical measurements are described in terms of operators acting on wavefunctions.
I. Operators, Wavefunctions, and the Schrodinger Equation
II. Examples of Solving the Schrodinger Equation
III. The Physical Relevance of Wavefunctions, Operators, and Eigenvalues
2.Approximation methods can be used when exact solutions to the Schrodinger equation can not be found.
I. The Variational Method
II. Perturbation Theory
III. Example Applications of Variational and Perturbation Methods
3.The Application of the Schrodinger equation to the motions of electrons and nuclei in a molecule lead to the chemists' picture of electronic energy surfaces on which vibration and rotation occurs and among which transitions take place.lS™