Methods of Molecular Quantum Mechanics

Beschreibung

This advanced text introduces to the advanced undergraduate andgraduate student the mathematical foundations of the methods neededto carry out practical applications in electronic molecular quantummechanics, a necessary preliminary step before using commercialprogrammes to carry out quantum chemistry calculations. Major features of the book include: * Consistent use of the system of atomic units, essential forsimplifying all mathematical formulae * Introductory use of density matrix techniques for interpretingproperties of many-body systems * An introduction to valence bond methods with an explanation ofthe origin of the chemical bond * A unified presentation of basic elements of atomic andmolecular interactions The book is intended for advanced undergraduate and first-yeargraduate students in chemical physics, theoretical and quantumchemistry. In addition, it is relevant to students from physics andfrom engineering sub-disciplines such as chemical engineering andmaterials sciences.

Autor*in

Valerio Magnasco

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Chemie Chemistry Computational chemistry Computational Chemistry & Molecular Modeling Computational Chemistry u. Molecular Modeling Physical Chemistry Physikalische Chemie Quantenmechanik

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