CCL: how to study the bonding characteristics among atoms!



Hi! Everyone!
 I am studying the bonding characteristics among atoms in solids such as zinc
 sulfide. And I am trying to find an efficient way to describe the bonding
 characteristics between or among atoms, expecially for those with special
 hybridization states such as d5-d5, d10-d10, and d0-d0.
 Any suggestions from you would be appreciated!
 Thank you in advance for your future help!
 Sincerely yours