2024-03-29T09:57:57Zhttp://digital.csic.es/dspace-oai/requestoai:digital.csic.es:10261/1456802017-12-18T13:55:41Zcom_10261_14181com_10261_4col_10261_14182
00925njm 22002777a 4500
dc
Rodríguez-Cantano, Rocío
author
González-Lezana, Tomás
author
Villarreal, Pablo
author
2016-01-25
One of the most commonly employed methods to study doped helium clusters is the path integral Monte Carlo (PIMC) approach. In this review we present results of recent investigations on a series of both atomic and diatomic dopants attached to droplets formed with up to 40 He atoms. Besides the comparison with similar studies existing in the literature, this work also gives the possibility to analyse different issues such as the role played by the He¿impurity interaction in the overall geometry of the clusters, the inclusion of internal molecular degrees of freedom and the exchange permutation symmetry in the PIMC calculations. The study of the structure and energies of and at thermal equilibrium presented in this work thus covers most of the usual aspects treated for these kinds of doped systems. © 2016 Taylor & Francis Group
International Reviews in Physical Chemistry 35 (1): 37- 68 (2016)
http://hdl.handle.net/10261/145680
10.1080/0144235X.2015.1132595
http://dx.doi.org/10.13039/501100004837
http://dx.doi.org/10.13039/501100003329
Path integral Monte Carlo
Helium clusters
Path integral Monte Carlo investigations on doped helium clusters