The present status of Density Functional Theory (DFT), which has
evolved as the main technique for the study of matter at the
atomistic level, is described in this volume. Knowing the behavior
of atoms and molecules provides a sure avenue for the design of new
materials with specific features and properties in many areas of
science and technology. A technique based on purely first
principles allowing large savings in time and money greatly
benefits the specialist or designer of new materials.
The range of areas where DFT is applied has expanded and
continues to do so. Any area where a molecular system is the center
of attention can be studied using DFT.The scope of the 22 chapters
in this book amply testifies to this.
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