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[×ÊÔ´] ¡¾×ÊÔ´¡¿Methods of Molecular Quantum Mechanics

Methods of Molecular Quantum Mechanics: An Introduction to Electronic Molecular Structure
Valerio Magnasco
ISBN: 978-0-470-68442-9
Hardcover
298 pages
January 2010

Description: This advanced text introduces to the advanced undergraduate and graduate student the mathematical foundations of the methods needed to carry out practical applications in electronic molecular quantum mechanics, a necessary preliminary step before using commercial programmes to carry out quantum chemistry calculations.

Major features of the book include:

    * Consistent use of the system of atomic units, essential for simplifying all mathematical formulae
    * Introductory use of density matrix techniques for interpreting properties of many-body systems
    * An introduction to valence bond methods with an explanation of the origin of the chemical bond
    * A unified presentation of basic elements of atomic and molecular interactions

The book is intended for advanced undergraduate and first-year graduate students in chemical physics, theoretical and quantum chemistry. In addition, it is relevant to students from physics and from engineering sub-disciplines such as chemical engineering and materials sciences.

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