Recent Developments and Applications of Modern Density Functional Theory (Theoretical and Computational Chemistry)

J.M. Seminario

ISBN 10: 0444824049 / ISBN 13: 9780444824042

Published by Elsevier Science Ltd, 1996

About this Item

1st edition. 862 pages. 9.50x6.75x1.50 inches. In Stock.

Seller Inventory # __0444824049

Bibliographic Details

• Title: Recent Developments and Applications of Modern Density Functional Theory (Theoretical and Computational Chemistry)
• Publisher: Elsevier Science Ltd
• Publication Date: 1996
• Language: English
• ISBN 10: 0444824049
• ISBN 13: 9780444824042
• Binding: Hardcover
• Condition: Brand New
• Weight: 1.75 kilograms

About this title

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.