Effect of electric field on thermodynamic properties of confined molecules

A detailed study of electric field effect on the thermodynamic properties namely: partition function, free energy, internal energy, entropy and specific heat of a spatially confined diatomic molecule has been presented. The molecule undertaken for study is LiH, as this molecule under confinement has recently received a lot of attention. The confinement is spherical hard wall potential. The rotational spectra for ground vibrational level and matrix elements of the form ψi(r)r-rereψj(r) have been evaluated using accurate finite difference method. Orientation and alignment of confined LiH in the presence of an applied static electric field has also been investigated.