B3LYP Gaussian

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

Today, I will show you an example with the B3LYP* functional. ... Per Siegbahn provided the answe...

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

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