Browsing by Author "Ertürk, Murat"

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Applicability of noninteger bessel type orbital basis sets: numerical and analytical approaches

Coşkun, Mahmut; Ertürk, Murat (Springer Science and Business Media Deutschland GmbH, 2023)

Recently, usefulness of the noninteger principal quantum numbers for Bessel type orbitals was discussed by Weniger in (Adv Quant Chem 83:209–237, 2021). In this study, we analyzed the applicability and numerical accuracy ...
Generalized complete orthonormal sets of Exponential-Type functions

Demirdak, Gürkan; Ertürk, Murat; Şahin, Ercan (Elsevier B.V., 2023)

New generalized complete orthonormal sets of ψα-exponential type functions are described and applied to LCAO calculations for the total energies of atomic systems within the framework of the minimal basis sets approximation ...