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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 ...
A theoretical investigation of DEPTQ NMR spectroscopy for InS spin system (I = 1/2, S = 1/2)
(2002)
The product operator technique is used for analytical description of multipulse NMR experiments. DEPTQ NMR spectroscopy is the combination.of basic DEPT and SEMUT-90 NMR spectroscopy. This study presents the analytical ...
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 ...