Research Information System
Communications in Theoretical Physics, vol.33, no.1, pp.27-32, 2000 (SCI-Expanded)
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 10-5 for the computer results is obtained for 1 ≤ v ≤ 5, and for the arbitrary values of internuclcar distances and screening constants of atomic orbitals.