Electric multipole moments of some diatomic molecules Molecules

Authors : M Özgür SEZER, Ayhan ÖZMEN, And Hüseyin YÜKSEL

Pages : 121-128

Doi:10.3906/sag-1207-1

View : 19 | Download : 9

Publication Date : 0000-00-00

Article Type : Research Paper

Abstract :Molecular Electric Multipole Moment insert ignore into journalissuearticles values(MEMM); integrals have been derived for diatomic molecular systems, and then some lower multipole moments as dipole moments and quadrupole moments have been calculated for some diatomic molecules. The calculations have been performed by using our analytical formula over Slater-Type orbitals insert ignore into journalissuearticles values(STOs); with Cade and Huo`s basis sets and the GAMESS program package working with Gaussian-Type basis sets insert ignore into journalissuearticles values(GTOs);. The expressions which involve factorials are given in terms of binomial coefficients in order to speed up calculations. The results have been obtained in agreement with data found in the literature.
Keywords : Multipole moments, quadrupole moments, dipole moments, Slater type orbitals