64 publications from this institution
The comment of Guseinov is irrelevant and also unjust. In contrast to his comment, we show that the obtained electric multipole moment values for some first-row diatomic molecules are original and better than his values (I.I. Guseinov, E. Akin, and A.M. Rzaeva, J. Mol. Struct. (Theochem) 453 (1998) 163) with respect to Hartree–Fock values. Moreover, it must be noted that all the formulas are cited in our paper (M. Orbay and T. Özdoǧan, Commun. Theor. Phys. (Beijing, China) 35 (2001) 585) and corrigendum (M. Orbay and T. Özdoğan, Commun. Theor. Phys. (Beijing, China) 37 (2002) 768).
Using translation formulas for Slater-type orbitals the infinite series through the overlap integrals are derived for the electric multipole moment integrals. By the use of the derived expressions the electric multipole moment integrals, and therefore, the electric properties of molecules can be evaluated most efficiently and accurately. The convergence of the series is tested by calculating concrete cases. An accuracy of for the computer results is obtained for , and for the arbitrary values of internuclear distances and screening constants of atomic orbitals.