Hello Everyone..
I'm using Materials Studio- DMol3 package for calculations of adsorption energies of small molecules on metal oxide clusters. I have a question on dispersion corrections done for van der Waals interactions.
1) Will it increase the accuracy of the calculations by including dispersion corrections? In what instances should it be included?
2) If I should include the dispersion corrections, in general opinion, which method should be the best to use?
Thanx alot for the help..
I'm using Materials Studio- DMol3 package for calculations of adsorption energies of small molecules on metal oxide clusters. I have a question on dispersion corrections done for van der Waals interactions.
1) Will it increase the accuracy of the calculations by including dispersion corrections? In what instances should it be included?
2) If I should include the dispersion corrections, in general opinion, which method should be the best to use?
Thanx alot for the help..
