Abstract:
The floating spherical gaussian orbital (FSGO) model uses localized closed shell orbital’s for arriving at geometries and energies for singlet ground electronic states for atoms and molecules. The orbital’s are allowed to interpenetrate-change positions with respect to the orbital exponent and the space coordinates of the orbital centre. The FSGO model is ab ini.tio with no semi empirical parameters involved. The results obtained through this method are interpretable in terms of the classical Lewis "electron pair" structures, and the method is, therefore, intuitively appealing to the chemist`s viewpoint.
Page(s):
113-117
DOI:
DOI not available
Published:
Journal: Pakistan Journal of Scientific and Industrial Research, Volume: 17, Issue: 4--5, Year: 1974