We use cookies to ensure that we give you the best experience on our website. You can change your cookie settings at any time. Otherwise, we'll assume you're OK to continue.

Department of Chemistry

Publication details for Prof. Jeremy M. Hutson

Medveď, M., Fowler, P.W. & Hutson, J.M. (2000). Anisotropie dipole polarizabilities and quadrupole moments of open-shell atoms and ions: O, F, S, Cl, Se, Br and isoelectronic systems. Molecular Physics 98(7): 453-463.

Author(s) from Durham


Quadrupole moment and dipole polarizability tensor components are calculated at the correlated complete-active-space self-consistent-field (CASSCF) and complete-active-space perturbation-theory (CASPT) levels for 2P states of O−, F, Ne+, Na2+, S−, Cl, Ar+, 98, K2+ , Se−, Br, Kr+, Rb2+ and 3P, 1D, 1S states of O−, F+, Ne2+, Na3+, S, Cl+, Ar2+, K3+, Se, Br+, Kr2+, Rb3+. Relativistic corrections are included perturbatively for the 34- and 35-electron systems.