Computational studies of one-electron properties of lithium hydride in confinement

Abstract

Dipole moments, dipole polarizabilities, and electric field gradients of the ground and the first R excited electronic state as well as the dissociative state a R of a LiH molecule subjected to a cylindrical harmonic confining potential were calculated by means of the second-order configuration interaction method. The response of these quantities to the… (More)

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Cite this paper

@inproceedings{Lo2006ComputationalSO, title={Computational studies of one-electron properties of lithium hydride in confinement}, author={J.M.H. Lo and Mariusz Klobukowski}, year={2006} }