Calculation of the total energy of two-electron molecules by the method of correlated wavefunctions

Application of Laguerre Polynomials to Evaluation of Two-Center, Two- and Three-Electron Integrals in the Basis of Slater-Type Orbitals - Algorithm and Numerical Results

“…Evaluation of some twocenter integrals with the correlation faction of the type r has been discussed by Rothstein [11], and applied (with some modifications) by Clary [12], where, at a particular stage of calculation, one has to introduce a numerical integration. The problem, but limited to the two-electron integrals, has been also discussed by Guseinov et al [13].…”

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.…”

“…In Refs. , 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 …”