Article ID Journal Published Year Pages File Type
5376893 Chemical Physics 2006 7 Pages PDF
Abstract
Dipole moments, dipole polarizabilities, and electric field gradients of the ground and the first 1Σ+ excited electronic state as well as the dissociative state a 3Σ+ 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 confining potential was discussed in terms of the bonding characteristics of the electronic states of a LiH molecule.
Related Topics
Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
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