Physical Chemistry Chemical Physics
Physical Chemistry Chemical Physics
4 years ago

Performance of a nonempirical exchange functional from density matrix expansion: comparative study with different correlations

Performance of a nonempirical exchange functional from density matrix expansion: comparative study with different correlations
Yuxiang Mo, Jianmin Tao, Guocai Tian
Recently, Tao and Mo proposed a meta-generalized gradient approximation for the exchange-correlation energy with remarkable accuracy for molecules, solids, and surfaces.

Publisher URL: http://feeds.rsc.org/~r/rss/CP/~3/oVIVxk1Uz7U/C6CP08761B

DOI: 2017/CP/C6CP08761B

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