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.

• quantum chemistry
• quantum chemistry textbook
• Dirac notation
• molecular spectroscopy
• group theory for chemistry
• Hartree-Fock theory
• density functional theory
• path integral
• open system quantum dynamics
• quantum information
• electronic structure calculation

"Suggy Jang's thoughtfully crafted textbook introduces quantum mechanics for chemistry students in the form used by practicing physical chemists. Readers will appreciate gaining acquaintance with the subject in its current-day framing—using Dirac's formulation—rather than relying on a purely wave mechanical description that would later have to be generalized. At the same time, Jang's friendly exposition doesn't make students wait until "sometime next term" to find out how these beautiful ideas apply to molecules. I highly recommend this refreshing text and only regret that it wasn't available decades ago." (Prof. Jeffrey Cina, University of Oregon)

 "Jang's book presents classic material on quantum mechanics relevant to chemistry undergraduates and graduate students but from a fresh perspective, with original aspects related to the use of Dirac notation starting in Chapter 2, and to important but often neglected topics concerning Fermi's golden rule, path integrals and open quantum dynamics.  He is to be congratulated on his careful presentation, with consistent notation throughout, detailed derivations of important formulas, and original problems in each chapter." (Prof. George C. Schatz, Northwestern University)

• Chemistry and Biochemistry, Queens College, CUNY, Queens, USA

  Seogjoo J. Jang

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).