Chem 451: Quantum Chemistry I

(print) Quantum mechanics embraces the behavior of all known forms of matter, including the atoms and molecules from which we, and all living organisms, are composed. Molecular Quantum Mechanics leads us through this absorbing yet challenging subject, exploring the fundamental physical principles that explain how all matter behaves. With the clarity of exposition and extensive learning features that have established the book as a leading text in the field, Molecular Quantum Mechanics takes us from the foundations of quantum mechanics, through quantum models of atomic, molecular, and electronic structure, and on to discussions of spectroscopy, and the electronic and magnetic properties of molecules. Lucid explanations and illuminating artworks help to visualize the many abstract concepts upon which the subject is built. Reflects the latest advances in computational techniques, and enhanced with more mathematical support.

(print) Integrating many new computer-oriented examples and problems throughout, this modern introduction to quantum chemistry covers quantum mechanics, atomic structure, and molecular electronics, and clearly demonstrates the usefulness and limitations of current quantum-mechanical methods for the calculation of molecular properties. Covers such areas as the Schrödinger Equation, harmonic oscillator, angular momentum, hydrogen atom, theorems of quantum mechanics, electron spin and the Pauli Principle, the Virial Theorem and the Hellmann-Feynman Theorem, and more. Contains solid presentations of the mathematics needed for quantum chemistry, clearly explaining difficult or subtle points in detail. Offers full, step-by-step examinations of derivations that are easy to follow and understand. Offers comprehensive coverage of recent, revolutionary advances in modern quantum-chemistry methods for calculating molecular electronic structure, including the ab initio and semiempirical methods for molecular calculations.

(print) Quantum Chemistry is carefully explained step-by-step, necessary mathematics is reviewed in detail. Worked examples aid learning. A solutions manual for the problems is available. Extensive discussions of modern abinitio, density functional, semiempirical, and molecular mechanics methods are included.

(print) This is a thorough update of the classic text of the same title by Donald McQuarrie.

(print) This book first teaches learners how to do quantum mechanics, and then provides them with a more insightful discussion of what it means. Fundamental principles are covered, quantum theory presented, and special techniques developed for attacking realistic problems. The book's two-part coverage organizes topics under basic theory, and assembles an arsenal of approximation schemes with illustrative applications.