Balancing quantum theory with practical experiments, this book focuses on the theory involved in determining and converting measured and computed data sets into accurate and well-defined equilibrium structures. It discusses quantum chemistry, the method of least squares, and computational aspects of determining semi-experimental equilibrium structures. It also explains the determination of moments of inertia from spectra as well as the determination of diatomic molecular potentials using semi-classical and quantum mechanical methods. A CD-ROM contains additional examples, making the book ideal for class instruction or self-instruction. This text is suitable for newcomers and experienced spectroscopists who want to expand their area of knowledge.
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