Use of Coulomb-Yukawa like correlated interaction potentials of integer and noninteger indices and one-range addition theorems for Ψα-ETO in evaluation of potential of electric field produced by molecule

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dc.contributor.authorGuseinov, İsrafil İsa
dc.date.accessioned2025-01-27T19:00:46Z
dc.date.available2025-01-27T19:00:46Z
dc.date.issued2009
dc.departmentÇanakkale Onsekiz Mart Üniversitesi
dc.description.abstractUsing Coulomb-Yukawa like correlated interaction potentials of integer and noninteger indices the series expansion formulae in terms of multicenter overlap integrals of three complete orthonormal sets of Ψα-exponential type orbitals and linear combination coefficients of molecular orbitals are established for the potential of electrostatic field produced by the charges of molecule, where ? = 1, 0, -1, -2,.... The formulae obtained can be useful for the study of interaction between atomic--molecular systems containing any number of closed and open shells when the ??-exponential type basis functions and Coulomb-Yukawa like correlated interaction potentials are used in the Hartree-Fock-Roothaan and explicitly correlated approximations. The final results are valid for the arbitrary values of parameters of correlated interaction potentials and orbitals. As an example of application, the calculations have been performed for the potential energy of interaction between electron and molecule H2O using combined Hartree-Fock-Roothaan equations suggested by the author.
dc.identifier.doi10.5012/bkcs.2009.30.11.2617
dc.identifier.endpage2620
dc.identifier.issn1229-5949
dc.identifier.issue11
dc.identifier.scopus2-s2.0-75849127449
dc.identifier.scopusqualityQ2
dc.identifier.startpage2617
dc.identifier.urihttps://doi.org/10.5012/bkcs.2009.30.11.2617
dc.identifier.urihttps://hdl.handle.net/20.500.12428/13460
dc.identifier.volume30
dc.indekslendigikaynakScopus
dc.language.isoen
dc.relation.ispartofBulletin of the Korean Chemical Society
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/openAccess
dc.snmzKA_Scopus_20250125
dc.subjectΨα-exponential type orbitals
dc.subjectCoulomb-Yukawa like interaction potentials
dc.subjectAddition theorems
dc.subjectHartree-Fock-Roothaan approximation
dc.titleUse of Coulomb-Yukawa like correlated interaction potentials of integer and noninteger indices and one-range addition theorems for Ψα-ETO in evaluation of potential of electric field produced by molecule
dc.typeArticle

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