Molecular integrals for slater type orbitals using coulomb sturmians

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The use of Slater type orbitals in molecular calculations is hindered by the slowness of integral evaluation. In the present paper, we introduce a method for overcoming this problem by expanding STO's in terms of Coulomb Sturmians, for which the problem of evaluating molecular integrals rapidly has been satisfactorily solved using methods based on the theory of hyperspherical harmonics.
Original languageEnglish
JournalJournal of Mathematical Chemistry
Issue number1
Pages (from-to)301-312
Number of pages12
Publication statusPublished - 12 Jan 2014

ID: 65372547