http://nova.newcastle.edu.au/vital/access/services/Feed ${session.getAttribute("locale")} 5 Ab initio vibrational spectrum of (²Σ⁺) He-MgH²⁺ http://nova.newcastle.edu.au/vital/access/manager/Repository/uon:7578 The vibrational spectrum and structure of (²Σ⁺)He–MgH²⁺ has been investigated using relativistically-corrected UCCSD(T). Vibrational wave functions for low-lying l = 0 states were obtained numerically using a w co-ordinate Eckart–Watson vibrational Hamiltonian, in conjunction with an embedded analytical UCCSD(T) potential. For the ground vibrational state, vibration-averaged Mg–H and Mg–He bond lengths differ by −33 and 53 ma₀ from those corresponding to the ab initio potential surface minimum. Vibration transition moment integrals and associated radiative properties of (²Σ⁺)He-MgH²⁺ have been calculated using an adapted quadrature scheme, in conjunction with an embedded analytical UCCSD(T) dipole moment function. 2011-04-14T00:20:26.504Z ]]>