Recent Advances in Density Functional Methods
- ISBN-10
- 9810224427
- ISBN-13
- 9789810224424
- Category
- Science
- Pages
- 436
- Language
- English
- Published
- 1995
- Publisher
- World Scientific
- Author
- Delano Pun Chong
Description
Of all the different areas in computational chemistry, density functional theory (DFT) enjoys the most rapid development. Even at the level of the local density approximation (LDA), which is computationally less demanding, DFT can usually provide better answers than Hartree-Fock formalism for large systems such as clusters and solids. For atoms and molecules, the results from DFT often rival those obtained by ab initio quantum chemistry, partly because larger basis sets can be used. Such encouraging results have in turn stimulated workers to further investigate the formal theory as well as the computational methodology of DFT.This volume contains ten contributions from active workers in DFT, covering topics from basic principles to methodology to applications. In the Foreword, Prof Walter Kohn gives his perspective on the recent advances in DFT. Because DFT is being developed in so many different directions, no single volume can provide a complete review of DFT. However, this volume will help both beginners and experimentalists to read the growing DFT literature more easily.
Get the book
Similar books
-
Chemistry: An Introduction to General, Organic and Biological Chemistry
By Karen C. TimberlakeThis new edition introduces more problem-solving strategies and new conceptual and challenge problems. Also, each Chapter Review has been enhanced with Learning Goals to reinforce the mastery of concepts for students.
-
Chemistry: An Introduction to General, Organic, and Biological Chemistry
By Karen TimberlakeThis laboratory manual contains 42 experiments for the standard sequence of topics in general, organic, and biological chemistry.
-
Basic Chemistry
By Karen C. TimberlakeThe book guides students through basic chemistry problem solving with engaging visuals and a focus on developing the math skills necessary to be successful in the course.
-
General, Organic, and Biological Chemistry: Structures of Life, eBook, Global Edition
By Karen C. TimberlakeThe full text downloaded to your computer With eBooks you can: search for key concepts, words and phrases make highlights and notes as you study share your notes with friends eBooks are downloaded to your computer and accessible either ...
-
Basic Chemistry
By Karen C. Timberlake, William E. TimberlakeBasic Chemistry
-
Basic Chemistry, Books a la Carte Edition
By Karen C. TimberlakeBasic Chemistry, Books a la Carte Edition
-
Essential Laboratory Manual for General, Organic and Biological Chemistry
By Karen C. TimberlakeEssential Laboratory Manual for General, Organic and Biological Chemistry
-
Basic Chemistry, Global Edition
By Karen C. Timberlake, Bill TimberlakeThe main objective in writing this text is to make the study of chemistry an engaging and a positive experience for students by relating the structure and behaviour of matter to real life.
-
General, Organic, and Biological Chemistry: An Integrated Approach
By Karen C. Timberlake, Laura D. Frost, Todd S. DealThe eText pages look exactly like the printed text, and include powerful interactive and customization functions. This is the product access code card for MasteringChemistry with Pearson eText and does not include the actual bound book.
-
Chemistry: An Introduction to General, Organic, and Biological Chemistry
By Karen C. TimberlakeHealth, Environmental, and Green Chemistry Notes throughout the text relate chemistry chapters to real-life topics in health, the environment, and medicine that are interesting and motivating to students.