In this book, density functional theory (DFT) is introduced within the overall context of quantum chemistry. DFT has become the most frequently used theory in q

This book is a rigorous, unified account of the fundamental principles of the density-functional theory of the electronic structure of matter and its applicatio

An introduction to the rapidly evolving methodology of electronic excited states For academic researchers, postdocs, graduate and undergraduate students, Quantu

Density Functional Theory (DFT) has firmly established itself as the workhorse for atomic-level simulations of condensed phases, pure or composite materials and

Density functional methods form the basis of a diversified and very active area of present days computational atomic, molecular, solid state and even nuclear ph