LSDA+U for Hydrogen addition

[ccccc]

Dear users
If i want to do a LSDA+U calculation including Hydrogen, what parameters of LDAUU, LDAUJ and LDAUL should i use fo H?

If my compound is TiO i can use

LDAUL= 2 -1
LDAUU= 5 0
LDAUJ=0.7 0

If i add a H atom into the structure what changes should i do? H atom has just 1s electron so am i going to consider it as a "no onsite term"?

Many thanks in advance

[WolverBean]

Hubbard U corrections are most often applied only to d orbitals on transition metals and f orbitals on actinides (as in your example values for TiO). That makes sense, as the Mott-Hubbard theory was developed to explain metal-to-insulator transitions in transition metal oxides with partially occupied d shells. I have seen rare instances where people have used +U corrections on p orbitals in oxygen, but I'm not sure there's much physical justification for doing so. I've never heard of using a +U correction on the 1s orbital in hydrogen. What makes you think a correction term on H would be needed?