Methods of Molecular Quantum Mechanics: An Introduction to Electronic Molecular Structure - Softcover

Über die Autorin bzw. den Autor

Dr Valerio Magnasco, MRSC, is full Professor of Theoretical Chemistry at the University of Genoa, Italy, presently at the Department of Chemistry and Industrial Chemistry (DCCI) of the Faculty of Mathematical, Physical and Natural Sciences of the University. He is Member of the Royal Society of Chemistry (UK, RSC), the American Institute of Physics (US, AIP), the Physical Chemistry Division of the Italian Chemical Society (Italy, SCI), the Class of Sciences of Accademia Ligure di Scienze e Lettere (Italy, Genova). He is supervising a research group working on the theoretical study of atomic and molecular interactions, and is author or co-author of over 170 scientific papers mostly published on international journals, and of one book on Molecular Quantum Mechanics.

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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.

Aus dem Klappentext

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.