A New-Generation Density Functional: Towards Chemical Accuracy for Chemistry of Main Group Elements

by Xin Xu and Igor Ying Zhang

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.

• Format: Paperback
• Language: English
• ISBN: 3642404200
• ISBN13: 9783642404207
• Release Date: December 2013
• Publisher: Springer
• Length: 110 Pages
• Weight: 0.40 lbs.
• Dimensions: 0.3" x 6.1" x 9.2"