Quantum Mechanics for Chemistry

This textbook forms the basis for an advanced undergraduate or graduate level quantum chemistry course, and can also serve as a reference for researchers in physical chemistry and chemical physics. In addition to the standard core topics such as principles of quantum mechanics, vibrational and rotational states, hydrogen-like molecules, perturbation theory, variational principles, and molecular orbital theories, this book also covers essential theories of electronic structure calculation, the primary methods for calculating quantum dynamics, and major spectroscopic techniques for quantum measurement. Plus, topics that are overlooked in conventional textbooks such as path integral formulation, open system quantum dynamics methods, and Green’s function approaches are addressed. This book helps readers grasp the essential quantum mechanical principles and results that serve as the foundation of modern chemistry and become knowledgeable in major methods of computational chemistry and spectroscopic experiments being conducted by present-day researchers. Dirac notation is used throughout, and right balance between comprehensiveness, rigor, and readability is achieved, ensuring that the book remains accessible while providing all the relevant details. Complete with exercises, this book is ideal for a course on quantum chemistry or as a self-study resource.

Seogjoo J. Jang is a Professor of Chemistry at Queens College of the City University of New York (CUNY), and is a doctoral faculty member of both the Chemistry and Physics PhD programs at the Graduate Center of CUNY. He obtained his BS (1989) and MS (1993) degrees in Chemistry from Seoul National University, and a Ph.D. degree (1999) in Chemistry from the University of Pennsylvania. He then worked as a postdoctoral associate at MIT (1999-2002) and as a Goldhaber Distinguished Fellow (2003-2005) at Brookhaven National Laboratory before starting his faculty position at Queens College, CUNY in 2005. His research expertise is in quantum dynamics theories and computational modeling. In particular, he has pioneered modern theories of resonance energy transfer that are now being incorporated into theoretical analyses of experimental data on complex molecular systems and has made key contributions to understanding the role of delocalized excitons in photosynthetic light harvesting complexes. He is a recipient of the National Science Foundation CAREER Award (2009) and the Camille Dreyfus Teacher Scholar Award (2010).