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Symbolic calculation of two-center overlap integrals over slater-type orbitals
(Chinese Chemical Society Taiwan, 2004)
Two-center overlap integrals over Slater type orbitals (STOs) have been expressed in terms of the well-known Mulliken's integrals Bn(pt) using Rodrigues's formula for normalized associated Legendre functions. A computer ...
Evaluation of multicenter nuclear attraction integrals by the use of translation formula for slater type orbitals
(International Academic Publishers, 2003)
By the use of translation formula for Slater type Orbitals (STOs), three-center nuclear attraction integrals are represented in terms of two-center overlap and nuclear attraction integrals. The computing results for the ...