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A New-Generation Density Functional : Towards Chemical Accuracy for Chemistry of Main Group Elements
by Igor Ying Zhang and Xin Xu
Overview
An overview of modern density functional theory (DFT).- A new generation of doubly hybrid density functionals (DHDFs).- Benchmarking the performance of DHDFs for the main group chemistry.- XYG3 results for some selected applications.- Concluding remarks.
This item is Non-Returnable
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Details
- ISBN-13: 9783642404207
- ISBN-10: 3642404200
- Publisher: Springer
- Publish Date: December 2013
- Dimensions: 9.21 x 6.14 x 0.26 inches
- Shipping Weight: 0.4 pounds
- Page Count: 110
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