Posts in category “accuracy”
Testing the reproducibility of DFT calculationsApril 12, 2016.

How do we establish the accuracy of a method ? Full CI quantum Monte CarloNovember 25, 2015.

Testing DFT for bulk water against quantum Monte Carlo calculationsOctober 30, 2014.

Characterising Accuracy in DFT CodesJuly 11, 2014.

Increasing accuracy of DFT with hybrids and correctionsJuly 25, 2013.
