Computation of molecular integrals over Slater-type orbitals. III. Calculation of multicenter nuclear-attraction integrals using recurrence relations for overlap integrals

Calculation of nuclear‐attraction and modified overlap integrals using Gegenbauer coefficients*

“…In order to evaluate two-center nuclear attraction integrals over STOs it is convenient to express modified overlap integrals [26]. For this purpose we use the formula…”

“…[26], by the use of series expansion formulas for STOs about a new center, the threecenter nuclear-attraction integrals can be expressed in terms of two-center nuclear attraction integrals by the following formula:…”

“…Two-center nuclear-attraction integrals with the respect to the molecular coordinate system have the following form [26,31]:…”

Israfil I. Guseinov: A pioneer of the quantum theory of atomic, molecular, and nuclear systems*

“…In Refs. , by the use of Guseinov's symmetrical and unsymmetrical one‐range addition theorems for integer and noninteger n STOs and complete sets of ‐METOs, one‐ and two‐electron multicenter electron‐repulsion integrals with the arbitrary location of STOs are expressed in terms of overlap integrals. The final results are of a simple structure and are, therefore, especially useful for machine computations.…”

“…, the prepared computer program for Guseinov's CHFR equations can be successfully applied to the study of various properties of atomic, molecular, and nuclear systems. Note that all of the one‐ and two‐electron multicenter integrals over STOs arising in the solution of CHFR equations have been evaluated using Guseinov's symmetrical and unsymmetrical one‐range addition theorems …”