Energy and expectation values of the PsH system

Abstract

Close to converged energies and expectation values for PsH are computed using a ground state wave function consisting of 1800 explicitly correlated gaussians. The best estimate of the PsH∞ energy was -0.789196740 hartree which is the lowest variational energy to date. The 2γ annihilation rate for PsH∞ was 2.47178× 109 s-1.

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