The scaling approach to multicenter molecular integrals with Slater-type orbitals |
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| Authors: | Duckhwan Lee Herschel Rabitz |
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| Institution: | Department of Chemistry, Princeton University, Princeton, New Jersey, 08544, USA |
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| Abstract: | A scaling approach to multicenter molecular integrals with Slater-type orbitals (STOs) is presented. The result is significant in that it shows (1) the existence of a simple relationship between multicenter integrals and (2) an implied computational savings. Operation count estimates indicate that the significant savings would occur for a system having large numbers of STOs on each atom. |
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