Quantum second virial coefficient calculation for the 4He dimer on a recent potential
Autor(a) principal: | |
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Data de Publicação: | 2013 |
Outros Autores: | , , , |
Tipo de documento: | Artigo |
Idioma: | eng |
Título da fonte: | Journal of the Brazilian Chemical Society (Online) |
Texto Completo: | http://old.scielo.br/scielo.php?script=sci_arttext&pid=S0103-50532013000300001 |
Resumo: | This paper focuses on the calculation of the quantum second virial coefficient, under a recently developed potential. This coefficient was determined to within 4-5 significant figures in the temperature range from 3 to 100 K. Our results are within experimental error. The three contributions to the overall value of the coefficient are the quantum scattering (continuum state contribution), the bound state (discrete state contribution) and the quantum ideal gas; we discuss these contributions separately. The most significant contribution is from the scattering states, whereas the smaller contributions are from the discrete states. A sensitivity analysis was performed as a function of temperature for one parameter in the short-range region of the potential and for three parameters in the long-range regions of the potential. For both temperatures considered, 10 and 100 K, the C6 dispersion coefficient was the most significant, and the C10 dispersion term was the least significant to the overall result. In general, the precision required to describe the potential decays as the temperature increases. The overall accuracy and the relationship of the parameters to the experimental errors are discussed. |
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Journal of the Brazilian Chemical Society (Online) |
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Quantum second virial coefficient calculation for the 4He dimer on a recent potentialquantum virialhelium-heliumscattering phase shiftThis paper focuses on the calculation of the quantum second virial coefficient, under a recently developed potential. This coefficient was determined to within 4-5 significant figures in the temperature range from 3 to 100 K. Our results are within experimental error. The three contributions to the overall value of the coefficient are the quantum scattering (continuum state contribution), the bound state (discrete state contribution) and the quantum ideal gas; we discuss these contributions separately. The most significant contribution is from the scattering states, whereas the smaller contributions are from the discrete states. A sensitivity analysis was performed as a function of temperature for one parameter in the short-range region of the potential and for three parameters in the long-range regions of the potential. For both temperatures considered, 10 and 100 K, the C6 dispersion coefficient was the most significant, and the C10 dispersion term was the least significant to the overall result. In general, the precision required to describe the potential decays as the temperature increases. The overall accuracy and the relationship of the parameters to the experimental errors are discussed.Sociedade Brasileira de Química2013-03-01info:eu-repo/semantics/articleinfo:eu-repo/semantics/publishedVersiontext/htmlhttp://old.scielo.br/scielo.php?script=sci_arttext&pid=S0103-50532013000300001Journal of the Brazilian Chemical Society v.24 n.3 2013reponame:Journal of the Brazilian Chemical Society (Online)instname:Sociedade Brasileira de Química (SBQ)instacron:SBQ10.5935/0103-5053.20130046info:eu-repo/semantics/openAccessCosta,Éderson D'MartinLemes,Nelson H. T.Alves,Márcio O.Sebastião,Rita C. O.Braga,João P.eng2013-05-24T00:00:00Zoai:scielo:S0103-50532013000300001Revistahttp://jbcs.sbq.org.brONGhttps://old.scielo.br/oai/scielo-oai.php||office@jbcs.sbq.org.br1678-47900103-5053opendoar:2013-05-24T00:00Journal of the Brazilian Chemical Society (Online) - Sociedade Brasileira de Química (SBQ)false |
dc.title.none.fl_str_mv |
Quantum second virial coefficient calculation for the 4He dimer on a recent potential |
title |
Quantum second virial coefficient calculation for the 4He dimer on a recent potential |
spellingShingle |
Quantum second virial coefficient calculation for the 4He dimer on a recent potential Costa,Éderson D'Martin quantum virial helium-helium scattering phase shift |
title_short |
Quantum second virial coefficient calculation for the 4He dimer on a recent potential |
title_full |
Quantum second virial coefficient calculation for the 4He dimer on a recent potential |
title_fullStr |
Quantum second virial coefficient calculation for the 4He dimer on a recent potential |
title_full_unstemmed |
Quantum second virial coefficient calculation for the 4He dimer on a recent potential |
title_sort |
Quantum second virial coefficient calculation for the 4He dimer on a recent potential |
author |
Costa,Éderson D'Martin |
author_facet |
Costa,Éderson D'Martin Lemes,Nelson H. T. Alves,Márcio O. Sebastião,Rita C. O. Braga,João P. |
author_role |
author |
author2 |
Lemes,Nelson H. T. Alves,Márcio O. Sebastião,Rita C. O. Braga,João P. |
author2_role |
author author author author |
dc.contributor.author.fl_str_mv |
Costa,Éderson D'Martin Lemes,Nelson H. T. Alves,Márcio O. Sebastião,Rita C. O. Braga,João P. |
dc.subject.por.fl_str_mv |
quantum virial helium-helium scattering phase shift |
topic |
quantum virial helium-helium scattering phase shift |
description |
This paper focuses on the calculation of the quantum second virial coefficient, under a recently developed potential. This coefficient was determined to within 4-5 significant figures in the temperature range from 3 to 100 K. Our results are within experimental error. The three contributions to the overall value of the coefficient are the quantum scattering (continuum state contribution), the bound state (discrete state contribution) and the quantum ideal gas; we discuss these contributions separately. The most significant contribution is from the scattering states, whereas the smaller contributions are from the discrete states. A sensitivity analysis was performed as a function of temperature for one parameter in the short-range region of the potential and for three parameters in the long-range regions of the potential. For both temperatures considered, 10 and 100 K, the C6 dispersion coefficient was the most significant, and the C10 dispersion term was the least significant to the overall result. In general, the precision required to describe the potential decays as the temperature increases. The overall accuracy and the relationship of the parameters to the experimental errors are discussed. |
publishDate |
2013 |
dc.date.none.fl_str_mv |
2013-03-01 |
dc.type.driver.fl_str_mv |
info:eu-repo/semantics/article |
dc.type.status.fl_str_mv |
info:eu-repo/semantics/publishedVersion |
format |
article |
status_str |
publishedVersion |
dc.identifier.uri.fl_str_mv |
http://old.scielo.br/scielo.php?script=sci_arttext&pid=S0103-50532013000300001 |
url |
http://old.scielo.br/scielo.php?script=sci_arttext&pid=S0103-50532013000300001 |
dc.language.iso.fl_str_mv |
eng |
language |
eng |
dc.relation.none.fl_str_mv |
10.5935/0103-5053.20130046 |
dc.rights.driver.fl_str_mv |
info:eu-repo/semantics/openAccess |
eu_rights_str_mv |
openAccess |
dc.format.none.fl_str_mv |
text/html |
dc.publisher.none.fl_str_mv |
Sociedade Brasileira de Química |
publisher.none.fl_str_mv |
Sociedade Brasileira de Química |
dc.source.none.fl_str_mv |
Journal of the Brazilian Chemical Society v.24 n.3 2013 reponame:Journal of the Brazilian Chemical Society (Online) instname:Sociedade Brasileira de Química (SBQ) instacron:SBQ |
instname_str |
Sociedade Brasileira de Química (SBQ) |
instacron_str |
SBQ |
institution |
SBQ |
reponame_str |
Journal of the Brazilian Chemical Society (Online) |
collection |
Journal of the Brazilian Chemical Society (Online) |
repository.name.fl_str_mv |
Journal of the Brazilian Chemical Society (Online) - Sociedade Brasileira de Química (SBQ) |
repository.mail.fl_str_mv |
||office@jbcs.sbq.org.br |
_version_ |
1750318174491901952 |