Guseinov, I. I.Akın, EmreRzaeva, A. M.2020-03-262020-03-261998Guseinov, I. I., Akın, E., Rzaeva, A. M., (1998). Evaluation of Molecular Electric Multipole Moments Using Slater-Type Orbitals. Journal of Molecular Structure-Theochem, 453, 163-167. doi: 10.1016/S0166-1280(98)00197-30166-1280https://dx.doi.org/10.1016/S0166-1280(98)00197-3https://hdl.handle.net/20.500.12395/16765A general formula in terms of overlap integrals has been established for the 2(nu)-pole electric moments of a molecule by the Hartree-Fock-Roothaan method involving the use of real or complex Slater-type orbitals (STOs). Using this formula we have calculated the monopole, dipole, quadrupole, and octupole moments of the ground states for a series of diatomic molecules. By the use of the derived expressions the electric multipole moment integrals, therefore, the electric properties of molecules can be evaluated most efficiently and accurately.en10.1016/S0166-1280(98)00197-3info:eu-repo/semantics/openAccessoverlap integralsslater-type orbitalsmultipole momentsArticle45301.03.2020163167N/AWOS:000076611400020N/A