Do practical standard coupled cluster calculations agree better than Kohn-Sham calculations with currently available functionals when compared to the best available experimental data for dissociation energies of bonds to 3d transition metals?

Xuefei Xu, Wenjing Zhang, Mingsheng Tang, Donald G Truhlar

Research output: Contribution to journal › Article › peer-review

100 Scopus citations

Fingerprint

Dive into the research topics of 'Do practical standard coupled cluster calculations agree better than Kohn-Sham calculations with currently available functionals when compared to the best available experimental data for dissociation energies of bonds to 3d transition metals?'. Together they form a unique fingerprint.

Chemistry