The ground-state potential energy curve of the radium dimer from relativistic coupled cluster calculations.
The potential energy curve for the ground-state of radium dimer (Ra2) is provided by means of atomic and molecular relativistic coupled cluster calculations. The short-range part of this curve is defined by an equilibrium bond length of 5.324 Å, a dissociation energy of 897 cm(-1), and a harmonic vibrational frequency of 20.5 cm(-1). The asymptotic behavior at large interatomic distances is characterized by the van der Waals coefficients C6 = 5.090 × 10(3), C8 = 6.978 × 10(5), and C10 = 8.786 × 10(7) atomic units. The two regions are matched in an analytical potential to provide a convenient representation for use in further calculations, for instance, to model cold collisions between radium atoms. This might become relevant in future experiments on ultracold, optically trapped, radioactive radium atoms that are used to search for a permanent electric dipole moment.
Amsterdam Center for Multiscale Modeling, VU University Amsterdam, De Boelelaan 1083, 1081 HV Amsterdam, The Netherlands.
Tiago Quevedo
TQ
Teodoro
Department of Chemistry and Molecular Physics, São Carlos Institute of Chemistry, University of São Paulo, Trabalhador São-Carlense Avenue, 400-CP 780, 13560-970 São Carlos, SP, Brazil.
Roberto Luiz Andrade
RL
Haiduke
Department of Physics, The University of Dodoma, P.O. Box 338, Dodoma, Tanzania.
Umakanth
U
Dammalapati
LaserLab, Department of Physics and Astronomy, VU University Amsterdam, De Boelelaan 1081, 1081 HV Amsterdam, The Netherlands.
Steven
S
Knoop
Amsterdam Center for Multiscale Modeling, VU University Amsterdam, De Boelelaan 1083, 1081 HV Amsterdam, The Netherlands.
Lucas
L
Visscher