Regarding parameters for L-J potential.


I was searching for parameters for the L-J potential for Cu-W and H-W interactions. But I am not finding any literature on that. Can anyone please suggest any source for the values? Thanks in advance.

Here, W stands for Tungsten.

looks like you either have to learn how to properly parameterize interactions, improve your literature searching skills, or find a new project.

or to say it with a quote from the john cassavetes movie “the killing of the chinese bookie”:

“there are no winners in a game of losers”


For a model as simple as LJ, you typically
just find epsilon/sigma values for individual
element, e.g. Cu, W, H. Then use standard
LJ mixing rules to get cross interactions.