Please use this identifier to cite or link to this item: https://hdl.handle.net/11499/51931
Title: Complete and orthonormal sets of exponential-type orbitals with non-integer quantum numbers
Authors: Bağcı, A.
Hoggan, P. E.
Keywords: Slater-type orbitals
fractional calculus
molecular auxiliary functions
Fractional Calculus
Hypergeometric-Functions
Laguerre-Polynomials
Factorization Method
Slater
Efficiency
Increase
Hydrogen
Computation
Derivatives
Publisher: Iop Publishing Ltd
Abstract: Atomic and molecular orbitals show exponential decrease at long range. Complete orthonormal basis sets for atoms should satisfy this criterion. A number of such bases have been used in physics (e.g. Coulomb Sturmians). The challenge of this work is first adapting Slater type Orbitals for this role, as they are not radially orthogonal. Even more important is their generalization to non-integer quantum numbers that have applications for configuration interaction. This generalization requires the whole apparatus of non-integer calculus that is presented using the Riemann-Liouville approach.
URI: https://hdl.handle.net/11499/51931
https://doi.org/10.1088/1751-8121/ace6e2
ISSN: 1751-8113
1751-8121
Appears in Collections:Fen Fakültesi Koleksiyonu
Scopus İndeksli Yayınlar Koleksiyonu / Scopus Indexed Publications Collection
WoS İndeksli Yayınlar Koleksiyonu / WoS Indexed Publications Collection

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