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Methods and Applications of Quantum Chemistry. Part I: Physical and Mathematical Basis
Authors:W Kutzelnigg
Abstract:After an introduction to the fundamental concepts of quantum mechanics it is shown how to describe a chemical system in the language of theoretical physics. The equations which one obtains can not, in general, be solved in closed form. Approximate numerical methods that furnish sufficiently accurate solutions for many problems of interest are, however, available. The most important of these are presented briefly, and are given physically visualizable interpretations as far as this is possible. Special attention is devoted to more modern methods of quantum chemistry, to the basis assumptions underlying them, their scope, and their limitations. Treatment of the theory of the chemical bond is reserved for Part II.
Keywords:Quantum chemistry
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