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 have been evaluated using accurate fi nite difference method. Orientation and alignment o confined LiH in the presence of an applied static electric field has also been investigated. (C) 2018 Elsevier B.V. All rights reserved.