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Thermal effects on small para‐hydrogen clusters
Author(s) -
Navarro Jesús,
Guardiola Rafael
Publication year - 2011
Publication title -
international journal of quantum chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.484
H-Index - 105
eISSN - 1097-461X
pISSN - 0020-7608
DOI - 10.1002/qua.22575
Subject(s) - delocalized electron , chemistry , isotropy , superfluidity , quantum , quantum monte carlo , excitation , molecule , atomic physics , physics , hydrogen molecule , hydrogen , spectral line , molecular physics , monte carlo method , condensed matter physics , quantum mechanics , statistics , mathematics
A brief review of different quantum Monte Carlo simulations of small (p‐H 2 ) N clusters is presented. The clusters are viewed as a set of N structureless p‐H 2 molecules, interacting via an isotropic pairwise potential. Properties as superfluidity, magic numbers, radial structure, excitation spectra, and abundance production of (p‐H 2 ) N clusters are discussed and, whenever possible, a comparison with 4 He N droplets is presented. All together, the simulations indicate that temperature has a paradoxical effect of the properties of (p‐H 2 ) N clusters, as they are solid‐like at high T and liquid‐like at low T , due to quantum delocalization at the lowest temperature. © 2010 Wiley Periodicals, Inc. Int J Quantum Chem, 2011