Interactions between H and intrinsic defects were studied by using ab initio molecular dynamics simulations and periodic super-cells or Hartree-Fock methods and saturated clusters. Attention was paid to complexes which involved 1 neutral self-interstitial plus one to four H atoms, and to the trapping of a single H at various vacancy aggregates.

Hydrogen Interactions with Intrinsic Defects in Silicon J.L.Hastings, M.Gharaibeh, S.K.Estreicher, P.A.Fedders: Physica B, 1999, 273-274, 216-9