Quantum Chemistry, 7th edition

Known for its solid presentation of mathematics, this bestseller is a rigorous but accessible introduction to both quantum chemistry and the math needed to master it. Quantum Chemistry, Seventh Edition covers quantum mechanics, atomic structure, and molecular electronic structure, and provides a thorough, unintimidating treatment of operators, differential equations, simultaneous linear equations, and other areas of required math. Practical for students in all branches of chemistry, the new edition reflects the latest quantum chemistry research and methods of computational chemistry, and clearly demonstrates the usefulness and limitations of current quantum-mechanical methods for the calculation of molecular properties.

• In-depth treatment of quantum chemistry gives advanced undergraduate students and beginning graduate students the background to understand the basic principles.
• Detailed reviews of necessary mathematics are included (complex numbers, differential equations, operators, vectors, determinants, simultaneous linear equations, matrices), taking into account the limited mathematics background of chemistry students. The mathematics is integrated into the text so students can immediately see it applied to quantum chemistry.
• Derivations are presented in full, step-by-step detail so students at all levels can easily follow and understand.
• A rich variety of homework problems (both quantitative and conceptual) is given for each chapter. Many problems have students doing quantum chemistry calculations using the WebMO online resource or quantum chemistry programs such as Spartan.
• Chapter summaries and many worked-out examples help students retain material, apply concepts, and understand the subject matter more completely.
• Comprehensive discussions of the major computational methods of molecular electronic structure (Hartree—Fock, CI, density-functional theory, MP2, coupled cluster, semiempirical, molecular mechanics) are provided. Discusses their strengths and weaknesses.  Allows students in all areas of chemistry to understand modern methods of electronic structure calculation.
• Geometry optimization, conformational searching; molecular electrostatic potentials, atomic charges, calculation of solvent effects, and other topics important in molecular electronic structure are discussed in detail.
• URLs of many online simulations of quantum-mechanical systems are given to help strengthen students’ understanding of the topics covered in the text and in class.
• Students are shown how to use the Numerov method to numerically solve the one-dimensional Schrödinger equation using a computer program or a spreadsheet such as Excel.
• Students are prepared to use quantum chemistry computer programs for their future life-science careers.
• Companion Website includes access to robust Advanced Chemistry student resources, such as podcasts, quizzes, worksheets, as well as a host of instructor resources. To learn more about the Pearson Advanced Chemistry Series, explore other titles, or access materials to accompany this text and others in the series, please visit www.pearsonhighered.com/advchemistry.

• Thorough updates reflect the latest quantum chemistry research and methods of computational chemistry, including several new literature references.
• New problems have been added to each chapter.
• Explanations have been revised in multiple areas to provide more clarification on topics students typically struggle to understand.
• Color has been added to figures to grab students’ attention and emphasize certain portions of the figures.
• The computer programs in the Solutions Manual and the text were changed from BASIC to C++
• References are made to modern research in quantum mechanics such as the Ozawa reformulation of the uncertainty principle and the observation of interference effects with very large molecules (for which the student is referred to a YouTube video).
• Optional Spartan Molecular Modeling software provides access to a sophisticated molecular modeling package that combines an easy-to-use graphical interface with a targeted set of computational functions.