• examples from the research literature showing DFT's contribution to diverse fields,
• a brief introduction to the Hohenberg-Kohn-Sham theory that underlies all DFT methods,
• an overview of the broader quantum chemistry field and DFT's place within it,
• a discussion of what DFT can't do, and
• advice to readers on how to approach the book.
• highlights the major categories of exchange-correlation functionals in use today,
• discusses the typical physical accuracy to be expected for various physical properties, and
• introduces phenomenological extensions to DFT designed to improve the treatment of electron correlation.
• Chapter 2 addresses using DFT to compute stable (or metastable) structures, using simple solids to illustrate the approach;
• Chapter 5 focuses on calculating vibrational normal modes and frequencies with DFT; and
• Chapter 8 considers electronic and magnetic structure.