Quantum Chemistry

Intended for beginning graduate and advanced undergraduate courses in Quantum Chemistry. Integrating many new computer-oriented examples and problems throughout, this best-selling, easy-to-understand modern introduction to quantum chemistry covers quantum mechanics, atomic structure, and molecular electronic structure. Practical for students in all branches of chemistry, it offers a solid understanding of quantum mechanics and clearly demonstrates the usefulness and limitations of current quantum-mechanical methods for the calculation of molecular properties. *Shows students how to use the Numerov method to numerically solve the one-dimensional Schrdinger equation using a BASIC program or a spreadsheet such as Excel, and includes homework problems that ask students to perform molecular calculations. *Discusses in detail conformational searching; molecular electrostatic potentials and atomic charges; and calculation of solvent effects; has greatly expanded treatments of density functional theory; geometry optimization; the MNDO, AM1, and PM3 methods; and molecular mechanics. *Explains difficult or subtle points in detail rather than glossing over them, and includes thorough, unintim