Recent Developments and Applications of Modern Density Functional Theory (Theoretical and Computational Chemistry): Volume 4 - Hardcover

Hardcover

ISBN 10: 0444824049 ISBN 13: 9780444824042

Publisher: Elsevier Science, 1996

Synopsis

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.

Edition details

• Publisher: Elsevier Science
• Publication date: 1996
• Language: English
• ISBN 10: 0444824049
• ISBN 13: 9780444824042
• Binding: Hardcover
• Number of pages: 844
• Editor: Seminario Jorge M.