Quantum Monte Carlo in Positron Physics

Abstract:

The development of algorithms and simulation codes as well as the ever increasing comput ing power available have have enabled many-body simulations to emerge as a viable alternative to the two-component density-functional theory to study positron states and annihilation in solids, defects and on solid surfaces. One practical many-body method is quantum Monte Carlo. This article will aim to present the practitioners of positron annihilation methods the basic ideas of the variational and diffusion quantum Monte Carlo, provide examples of their past and recent applications in positron physics of atomic/molecular and solid-state systems as well as an outlook into the future.

• Periodical: Solid State Phenomena (Volume 373)
• Pages: 155-164
• DOI: https://doi.org/10.4028/p-pU83Bq
• Online since: July 2025
• Authors: Ilja Makkonen*
• Keywords: Momentum Density of Annihilating Electron-Positron Pairs, Positron Annihilation, Positron Lifetime, Positronium, Positron-Molecule Systems, Quantum Monte Carlo

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