Electric properties of the Cu+, Ag+ and Au+ cations in the ground 1S and excited 3D, 1D electronic states
1 Department of Chemistry, M.V.
Lomonosov Moscow State University, 119991
2 Institute of Problems of Chemical Physics RAS, Chernogolovka, 142432 Moscow District, Russia
Received in final form: 3 October 2014
Published online: 4 December 2014
The lowest-order electric properties of the coinage metal cations Cu+, Ag+ and Au+ are calculated ab initio. For the ground states, accurate coupled cluster estimations are presented for the static and dynamic dipole and quadrupole polarizabilities. Results of the similar quality are obtained for the static dipole polarizabilities and permanent quadrupole moments of the lowest excited triplet 3D states, whereas the first excited singlet 1D states are characterized at the lower level of correlation treatment. Effect of vectorial spin-orbit coupling is assessed using the spin-orbit configuration interaction method.
Key words: Atomic Physics
© EDP Sciences, Società Italiana di Fisica, Springer-Verlag 2014