The equilibrium geometries and the electronic structures for different locations of H atoms and ions in GaAs have been evaluated by first-principle local density functional methods. Discrete near-edge levels are induced in the bandgap by the interactions of hydrogen with the GaAs lattice, as well as by charge effects in the case of H ions. Radiative transitions between those conductionband and valence-band near-edge states account for the main features of the emission bands observed in the photoluminescence spectra of hydrogenated III±V compounds.The interaction of a hydrogen atom with host crystal atoms gives rise to a sizable relaxation of the host lattice as shown by muon spin relaxation measurements [1]. Lattice deformations may give rise to states localized in real space with energy levels near the band edges. As a matter of fact, new structured bands have been reported a few tens of meV below the bandgap energy in the photoluminescence (PL) spectra of different hydrogenated III±V epilayers and heterostructures [2 to 4]. These bands are either unexplained [2], tentatively attributed to transitions involving localized levels which are associated to small local lattice deformations [3], or associated to H-plasma damage [4]. In the present work, local density functional calculations of equilibrium geometries, electronic charge distributions, and electronic eigenvalues are performed for different locations of neutral and charged H species in the GaAs lattice. In a few cases, discrete electronic levels are found near the conduction-band (CB) and valence-band (VB) edges which can account for the energy and the peculiar features of the PL band observed in hydrogenated GaAs.Details on the theoretical methods can be found in Ref.[5]. The near-edge levels induced by the presence of H have been evaluated by using three electronic eigenvalues of increasing energy evaluated at the G point of the Brillouin zone. The first two are those relative to the lowest (LO) and the highest occupied (HO) states in the valence band, the last one corresponds to the lowest unoccupied (LU) state in the conduction band, see Fig. 1. The LU±HO and HO±LO differences give the bandgap energy E g and the valence bandwidth (BW), respectively. The LO eigenvalue has also A. Amore Bonapasta et al.: Near-Edge States Induced by Hydrogen Inclusion in GaAs