http://www.cnr.it/ontology/cnr/individuo/prodotto/ID39122
A Full Configuration Interaction calculation of the density dependence of the 3He shielding constant. (Articolo in rivista)
- Type
- Label
- A Full Configuration Interaction calculation of the density dependence of the 3He shielding constant. (Articolo in rivista) (literal)
- Anno
- 2002-01-01T00:00:00+01:00 (literal)
- Alternative label
- Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#autori
- Pecul M., Rizzo A. (literal)
- Pagina inizio
- Pagina fine
- Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#numeroVolume
- Rivista
- Note
- ISI Web of Science (WOS) (literal)
- Titolo
- A Full Configuration Interaction calculation of the density dependence of the 3He shielding constant. (literal)
- Abstract
- The interaction-induced changes in the $^3$He shielding constant
of the helium dimer have been calculated using the Full
Configuration Interaction method and large basis sets. From these
data the first virial coefficient for the $^3$He isotropic
shielding constant in gaseous helium has been determined. At room
temperature it is negligibly small, approximately -0.006
cm$^3$mol$^{-1}$ and it increases monotonically with the
temperature. This behaviour is caused by the monotonic dependence
of the isotropic shielding constant of He$_2$ on the interatomic
distance. In addition, the non-relativistic value of the shielding
constant of the isolated He atom was estimated to be
$\sigma^{iso}$=59.932~ppm.
(literal)
- Prodotto di
- Autore CNR
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