Polarizabilities of the alkali anions: Li- to Fr-.
Static dipole polarizabilities are calculated for the ground states of the alkali anions from Li- to Fr-. The polarizabilities include scalar relativistic effects at the second-order Douglas-Kroll level and were computed using the finite-field, coupled-cluster CCSD(T) method with large, carefully optimized basis sets. The relativistic polarizabilities increase with Z, reach a maximum at Cs-, and then decrease again unlike their nonrelativistic counterparts which increase monotonically with Z.
Lupinetti
Concetta
C
Department of Chemistry, University of New Brunswick, Fredericton, New Brunswick E3B 6E2, Canada.
Thakkar
Ajit J
AJ