DOI

The ground electronic state of the eka-mercury dimer (E1122) was studied within the model of generalized relativistic effective core potentials. A combined procedure based on describing correlation effects by the scalar relativistic coupled-cluster method and on taking into account spin-dependent interactions by means of density-functional theory was used in the calculations. A high accuracy of this approach was confirmed by the results of similar calculations for the mercury dimer. It was found that the bond length is nearly 0.4 Å shorter in E1122 than in Hg2 and that the dissociation energy of the former is approximately twice as high as that of the latter dimer.

Язык оригиналаанглийский
Страницы (с-по)396-400
Число страниц5
ЖурналPhysics of Atomic Nuclei
Том72
Номер выпуска3
DOI
СостояниеОпубликовано - мар 2009
Опубликовано для внешнего пользованияДа

    Предметные области Scopus

  • Атомная и молекулярная физика и оптика
  • Ядерная физика и физика высоких энергий

ID: 11880025