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This paper advocates use of the atomic orbitals which have direct physicalinterpretation, i.e. Coulomb Sturmians and hydrogen-like orbitals. They areexponential type orbitals (ETOs). Their radial nodes are shown to be essentialin obtaining accurate nuclear shielding tensors for NMR work. The present workbuilds on a 2003 French PhD and many numerical results were published by 2007.The improvements in this paper are noteworthy, the key being the actual basisfunction choice.  Until 2008, their products on different atoms were difficult to manipulatefor the evaluation of two-electron integrals. Coulomb resolutions provide anexcellent approximation that reduces these integrals to a sum of one-electronoverlap-like integral products that each involve orbitals on at most twocenters. Such two-center integrals are separable in prolate spheroidalco-ordinates. They are thus readily evaluated. Only these integrals need to bere-evaluated to change basis functions.  In this paper, a review of the translation procedures for Slater typeorbitals (STO) and for Coulomb Sturmians follows that of the more recentapplication to ETOs of a particularly convenient Coulomb resolution.

How specific exponential type orbitals recently became a viable basis set choice in NMR shielding tensor calculation