THE FINITE-TEMPERATURE PATH INTEGRAL MONTE CARLO METHOD AND ITS APPLICATION TO SUPERFLUID HELIUM CLUSTERS [chapter]

P. Huang, Y. Kwon, K. B. Whaley
2002 Microscopic Approaches to Quantum Liquids in Confined Geometries  
We review the use of the path integral Monte Carlo (PIMC) methodology to the study of finite-size quantum clusters, with particular emphasis on recent applications to pure and impurity-doped He clusters. We describe the principles of PIMC, the use of the multilevel Metropolis method for sampling particle permutations, and the methods used to accurately incorporate anisotropic molecule-helium interactions into the path integral scheme. Applications to spectroscopic studies of embedded atoms and
more » ... olecules are summarized, with discussion of the new concepts of local and nanoscale superfluidity that have been generated by recent PIMC studies of the impurity-doped He clusters.
doi:10.1142/9789812778475_0003 fatcat:z3hn42c2l5bmfecdeq337qwtj4