Customer Reviews

Density Functional Theory: A Practical Introduction

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As a scientist with no prior experience of density functional theory (DFT) calculations, I fit the target audience of this book perfectly. I wanted a quick intuitive introduction to the subject so that I could start reading and understanding journal papers that discuss results of DFT simulations. This book passed this test with flying colors. The authors try not to burden the reader with technical details but rather to provide a 30,000-foot overview of what DFT can and cannot do. After reading this book I feel comfortable starting my own simulations (with a little help from more experienced colleagues) and digging deeper into the technical details of the DFT method.

I find these book excellent for students (and their professors) that begin their deals with DFT. I has the very basic theory, the practical habilities to begin real work (chapter 3, nuts and bolts), and also provides directions to continue learning from deeper texts.