The electronic structure of positronium hydride has been studied using explicitly correlated Gaussian functions. The resulting energy constitutes new upper bound to the exact nonrelativistic energy of PsH within the Born–Oppenheimer approximation. The two photon annihilation rate was computed using the optimized wave function. Preliminary results for the positron bonded with the lithium atom indicate the stability of this system against the dissociation into Li+ cation and Ps atom.
The energy curve of the hydrogen–antihydrogen system has been calculated using the
Rayleigh–Ritz variational method, with a basis of correlated Gaussian functions.
The microHartree accuracy of Born–Oppenheimer energies of this system has
been achieved for the first time for short internuclear distances. The new upper
bound to the terminal distance of Ps binding by the p– p̄
pair has been established to be 0.744 Bohr.
Articles you may be interested inReduced explicitly correlated Hartree-Fock approach within the nuclear-electronic orbital framework: Applications to positronic molecular systems Binding energy, structure, and annihilation properties of the positron-LiH molecule complex, studied with explicitly correlated Gaussian functions
The energy and two-photon annihilation rate of the complex of the LiH molecule with a positron have been calculated for the equilibrium geometry of LiH in the gas phase, using the explicitly correlated Gaussian basis set. The resulting energy of e+LiH (−8.104 850 hartree) is the lowest obtained to date. The binding energy of the positron in this system has been predicted to be at least 34.401 mhartree, and the annihilation rate has been estimated to be 1.26 ns−1. Maps of the electron, positron, and contact (electron–positron) densities have been prepared.
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