Ground-state dipole moment of the spatially confined carbon monoxide and boron fluoride molecules

In this contribution the influence of spatial confinement on the dipole moment of carbon monoxide and boron fluoride was investigated. The spatial confinement was modeled by applying the two-dimensional harmonic oscillator potential. The dipole moment calculations were performed for both molecules using their experimental geometries and also including the effect of geometry relaxation in the presence of confining potential. Our results demonstrate that the dipole moment is noticeably affected by the confinement. Moreover, it was found that the changes in the dipole moment, caused by the presence of harmonic oscillator potential, are substantially different for each of the studied molecules. (C) 2016 Elsevier B.V. All rights reserved.