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Wiley | 2010-01-26 | ISBN: 0470684410 | 298 pages | File type: PDF | 1,7 mbThis 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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