Posts tagged “Accuracy”

Self-interaction correction in DFT

August 12, 2016 . dft .
A discussion of a recent paper testing self-interaction correction for atomisation energies
DFT Accuracy

Different approaches to creating (meta-GGA) DFT functionals

May 31, 2016 . DFT .
An overview of two recent meta-GGA functionals
Accuracy testing

How do we establish the accuracy of a method ? Full CI quantum Monte Carlo

November 25, 2015 . accuracy .
An overview of full CI quantum Monte Carlo and a discussion of accuracy
testing Accuracy ExcitedStates

The accuracy of semi-local functionals

October 5, 2015 . DFT .
A brief update
DFT Accuracy hybrids

DFT Accuracy for weak interactions

March 21, 2014 . DFT .

Accuracy DFT vdW