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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 ...
Hartree-Fock-Roothaan calculations for ground states of some atoms using minimal basis sets of integer and noninteger n-STOs
(2004)
Hartree-Fock-Roothaan (HFR) calculations for ground states of some atoms, i.e. He, Be, Ne, Ar, and Kr have been performed using minimal basis sets of Slater type orbitals (STOs) with integer and noninteger principal quantum ...