Principles and Applications of Quantum Chemistry offers clear and
simple coverage based on the author's extensive teaching at
advanced universities around the globe. Where needed, derivations
are detailed in an easy-to-follow manner so that you will
understand the physical and mathematical aspects of quantum
chemistry and molecular electronic structure. Building on this
foundation, this book then explores applications, using
illustrative examples to demonstrate the use of quantum chemical
tools in research problems. Each chapter also uses innovative
problems and bibliographic references to guide you, and throughout
the book chapters cover important advances in the field including:
Density functional theory (DFT) and time-dependent DFT (TD-DFT),
characterization of chemical reactions, prediction of molecular
geometry, molecular electrostatic potential, and quantum theory of
atoms in molecules.
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