Precision of calculated static polarizabilities: Ga, In and Tl atoms

摘要: Abstract The static dipole polarizabilities of the group 13 elements Ga, In and Tl in three 2 P JM J substates are calculated by Fock space coupled cluster method. ground 2P1/2 states also studied single reference approach, with triple excitations included perturbatively. Very large basis sets employed extended to convergence. effects different parameters calculation (2- vs. 4-component Hamiltonian, sets, expansion) explored. effect Gaunt interaction, which approximates lowest order relativistic correction two-electron is studied. Error bounds estimated at 3% for 5% J = 3/2 states. final recommended values α(Ga) = 51.1(1.5) a.u., α(In) = 62.0(1.9) α(Tl) = 52.1(1.6) a.u. last two agreement experimental α(In) = 69(8) α(Tl) = 51(7) have error bars 4 times smaller. No value available present calculations provide first this element.