Construction of One-Range Addition Theorems for Noninteger Slater Functions Using Self-Friction Exponential Type Orbitals and Polynomials

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dc.contributor.authorGuseinov, İsrafil İsa
dc.contributor.authorMamedov, B. A.
dc.contributor.authorÇopuroğlu, E.
dc.date.accessioned2025-01-27T21:13:43Z
dc.date.available2025-01-27T21:13:43Z
dc.date.issued2020
dc.departmentÇanakkale Onsekiz Mart Üniversitesi
dc.description.abstractThe addition theorems of Slater type orbitals (STOs) presented in literature are generally complicated to theoretically examine the electronic structure of atoms and molecules. The computational deficiencies in use of these theorems arise from the separation of integral variables. In this work, to eliminate these calculation efforts, a large number of independent one-range addition theorems for chi-noninteger Slater type orbitals (chi-NISTOs) in terms of chi-integer STOs (chi-ISTOs) is presented by using complete orthogonal basis sets of L-(pi*)-self-friction (SF) polynomials (L-(pi*)-SFPs), psi((pi*))-SF exponential type orbitals (psi((pi*))-SFETOs), L-(alpha*)-modified SFPs (L-(alpha*)-MSFPs), and psi((alpha*))-modified SFETOs (psi((alpha*))-MSFETOs) introduced by one of the authors. Here, pl(*) = 2l + 2 - alpha* and alpha* are the integer or noninteger (alpha* = alpha -infinity < alpha <= 2) or noninteger (alpha* not equal alpha, -infinity < 3) SF quantum numbers based on the Lorentz damping theory. The expansion coefficients of series for the one-range addition theorems are expressed through the analytical relations for the overlap integrals of chi-NISTOs with the same screening parameters. As an application, the calculations of overlap integrals with the different screening constants of (chi)-NISTOs are performed.
dc.identifier.doi10.1134/S0036024420120122
dc.identifier.endpage2585
dc.identifier.issn0036-0244
dc.identifier.issn1531-863X
dc.identifier.issue12
dc.identifier.scopus2-s2.0-85097174258
dc.identifier.scopusqualityQ4
dc.identifier.startpage2581
dc.identifier.urihttps://doi.org/10.1134/S0036024420120122
dc.identifier.urihttps://hdl.handle.net/20.500.12428/28502
dc.identifier.volume94
dc.identifier.wosWOS:000595580200026
dc.identifier.wosqualityQ4
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.language.isoen
dc.publisherMaik Nauka/Interperiodica/Springer
dc.relation.ispartofRussian Journal of Physical Chemistry A
dc.relation.publicationcategoryinfo:eu-repo/semantics/openAccess
dc.rightsinfo:eu-repo/semantics/closedAccess
dc.snmzKA_WoS_20250125
dc.subjectaddition theorems
dc.subjectself-friction quantum numbers
dc.subjectexponential type orbitals
dc.subjectPochhammer symbols
dc.titleConstruction of One-Range Addition Theorems for Noninteger Slater Functions Using Self-Friction Exponential Type Orbitals and Polynomials
dc.typeArticle

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