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Zhang, Igor Ying

A New-Generation Density Functional

Zhang, Igor Ying - A New-Generation Density Functional, ebook

65,55€

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ISBN: 9783642404214
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Table of contents

1. An Overview of Modern Density Functional Theory
Igor Ying Zhang, Xin Xu

2. A New Generation of Doubly Hybrid Density Functionals (DHDFs)
Igor Ying Zhang, Xin Xu

3. Benchmarking the Performance of DHDFs for the Main Group Chemistry
Igor Ying Zhang, Xin Xu

4. XYG3 Results for Some Selected Applications
Igor Ying Zhang, Xin Xu

5. Concluding Remarks
Igor Ying Zhang, Xin Xu

Keywords: Chemistry, Theoretical and Computational Chemistry, Quantum Physics, Computer Appl. in Life Sciences, Computer Applications in Chemistry

Author(s)
 
Publisher
Springer
Publication year
2014
Language
en
Edition
2014
Series
SpringerBriefs in Molecular Science
Category
Natural Sciences
Format
Ebook
eISBN (PDF)
9783642404214

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