ENGLISH

Recent Developments and Applications of Modern Density Functional Theory

By J.M. Seminario (Eds.)

Book information

Publisher
Elsevier Science
Year
1996
ISBN
9780444824042, 0444824049
ISSN
1380-7323
LCC
QD462.6.D45 R44 1996
Open Library ID
OL998577M
Language
english
Format
PDF
Filesize
44 MB (45712555 bytes)
Series
Theoretical and Computational Chemistry 4
Edition
1
Pages
3-838\863
Time added
2010-05-31 15:29:46

Description

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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