Thursday, May 30, 2013

1305.6809 (A. Zubiaga et al.)

A single particle effective potential for interacting positron and

A. Zubiaga, F. Tuomisto, M. Puska
We have studied small systems composed by an atom and a positron or a positronium atom. We have used many-body quantum mechanical calculations to describe the correlation effects of light particles. Explicitly correlated gaussian for the basis functions and a stochastical variational optimization method has allowed to obtain accurate wavefunctions and energies. We have discussed the chemistry of positrons in those systems by means of analyzing the densities of the light particles (electrons and positrons). During the discussion, we propose an effective potential that describes the properties of the positron in those systems, valid also when it forms a Ps cluster. The effective potential is a mean field description of the interaction of the positron that can be used to calculate the distribution of the positron and its interaction energy. This potential can be a step forward for an accurate single particle description of the positron in cases when it forms positronium, specially molecular soft matter.
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