Abstract
The ZnO – positron system is studied and its positron – electron correlation energy is estimated in its ground state. The positron binds with the outer shell electrons of Zinc and Oxigen to form the pseudo ZnO – positron molecule before it anihilates with one of these electrons. In this work, the single wave function for positron is modified according to the principle of linear superposition, and by using Variational Quantum Monte – Carlo method (VQMC) the correlation energy of this system is estimated with the value Ec e-p = - 9.3 ± 1.1 eV. It turns out that the value is closer to results estimated by other methods than the value that we had done before.
Highlights
There are many methods that have been used to estimate the positron-electron correlation energy [2]
The method is more successful when we make the form of the trial wave functions of particles in a considered system are loser to that of the exact wave function
Our main aim is to modify the form of the trial wave function of the positron
Summary
There are many methods that have been used to estimate the positron-electron correlation energy [2]. We use the VQMC method to estimate the positronestimating the electron, positron correlation – energy of the zinc oxide - positron system) is given by. More successful when we make the form of the trial wave functions of particles in a considered system are loser to that of the exact wave function. Our main aim is to modify the form of the trial wave function of the positron
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