S66 data set update | 2014-02-17
The MP2C interaction energies were corrected, for details see the recently published errata to the S66 paper.
A24 data set added | 2013-07-02
New data set of 24 small complexes for which very accurate calculations are possible, intended as a benchmark for benchmark-quality methods.
X40 data set added | 2012-10-23
Benchmark CCSD(T)/CBS interaction energies and results of the tested methods have been added to the database.
Correction in the S66 dataset | 2011-07-27
The MP2.5 interaction energies listed in the S66 dataset had been incorrect. The data were replaced with correct correct results.
Update of the S66 and S66x8 datasets | 2011-07-20
Names of complexes 35-38 have been corrected. This does not affect the assignment of energies to complex numbers.
S66x8 dataset | 2011-07-20
We're working on making the S66x8 dataset available as soon as possible. Please check back later.
Website update | 2010-09-20
The www.begdb.com website has been updated. It is now possible to filter datasets; the table view has been improved.