9781332093885 - aec computing and applied mathematics center: aec research and development report (classic reprint) de cooley, james w. (3 resultados)
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Paperback. Condición: New. Print on Demand. This book concerns the study of diatomic molecules from the perspective of quantum mechanics. The author gives a detailed account of the theoretical framework for computations that determine the structure and properties of molecules. Techniques for approximating solutions to the comple…x differential equations that describe molecular behavior are outlined, with a focus on variational methods and linear combinations of pure state wave functions. Also included are detailed descriptions of computational procedures for calculating molecular integrals, solving the radial Schroedinger equation, and evaluating molecular properties. The account includes novel numerical approaches developed by the author and is extensively illustrated by worked examples and references to the literature. The methods outlined in this book have been applied to a wide range of problems in molecular quantum mechanics, including the calculation of electronic wave functions, molecular energies, and equilibrium geometries. This book is a reproduction of an important historical work, digitally reconstructed using state-of-the-art technology to preserve the original format. In rare cases, an imperfection in the original, such as a blemish or missing page, may be replicated in the book. print-on-demand item.
