Cover image for A New-Generation Density Functional Towards Chemical Accuracy for Chemistry of Main Group Elements
Title:
A New-Generation Density Functional Towards Chemical Accuracy for Chemistry of Main Group Elements
Author:
Zhang, Igor Ying. author.
ISBN:
9783642404214
Edition:
1st ed. 2014.
Physical Description:
IX, 110 p. 31 illus., 15 illus. in color. online resource.
Series:
SpringerBriefs in Molecular Science,
Contents:
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.
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