Gaussian DFT

Hybrid functionals are a class of approximations to the exchange–correlation energy ... One of th...

LC-wHPBE: Recommended version [Henderson09] of the long-range-corrected ωPBE functional [Vydrov06...

The implementation of B3LYP is different in both programs. Though I know that Dalton has the Gaus...

How can I perform calculation at B3LYP-D3 or SCS-MP2 methods by GAUSSIAN 09? It is said that the ...

What is B3LYP Gaussian? B3LYP uses the non-local correlation provided by the LYP expression, and ...