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Excitation levels and magic numbers of small parahydrogen clusters (N < 40)

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Excitation levels and magic numbers of small parahydrogen clusters (N < 40)

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dc.contributor.author Guardiola Barcena, Rafael
dc.contributor.author Navarro Faus, Jesús
dc.date.accessioned 2010-05-14T10:27:10Z
dc.date.available 2010-05-14T10:27:10Z
dc.date.issued 2008
dc.identifier.citation GUARDIOLA BARCENA, Rafael ; NAVARRO, Jesús. Excitation levels and magic numbers of small parahydrogen clusters (N < 40). En: Journal of Chemical Physics, 2008, vol. 128 en
dc.identifier.uri http://hdl.handle.net/10550/2396
dc.description.abstract The excitation energies of parahydrogen clusters have been systematically calculated by the diffusion Monte Carlo technique in steps of 1 molecule from 3 to 40 molecules. These clusters possess a very rich spectra, with angular momentum excitations arriving up to L = 13 for the heavier ones. No regular pattern can be guessed in terms of the angular momenta and the size of the cluster. Clusters with N = 13 and 36 are characterized by a peak in the chemical potential and a large energy gap of the first excited level, which indicate the magical character of these clusters. From the calculated excitation energies, the partition function has been obtained, thus allowing for an estimate of thermal effects. An enhanced production is predicted for cluster sizes of N = 13, 31, and 36, which is in agreement with the experiment. en_US
dc.language.iso en en
dc.subject Chemical potential ; Energy gap ; Excited states ; Molecular clusters ; Monte Carlo methods en
dc.title Excitation levels and magic numbers of small parahydrogen clusters (N < 40) en
dc.type journal article es_ES
dc.subject.unesco UNESCO::FÍSICA::Química física en
dc.identifier.doi 10.1063/1.2903462 en
dc.type.hasVersion VoR es_ES
dc.identifier.url http://scitation.aip.org/getpdf/servlet/GetPDFServlet?filetype=pdf&id=JCPSA6000128000014144303000001&idtype=cvips&prog=normal&doi=10.1063/1.2903462 en

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