Use of Coulomb-Yukawa Like Correlated Interaction Potentials of Integer and Noninteger Indices and One-range Addition Theorems for ??-ETO in Evaluation of Potential of Electric Field Produced by Molecule

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dc.contributor.authorGuseinov, Israfil Isa
dc.date.accessioned2025-01-27T20:22:31Z
dc.date.available2025-01-27T20:22:31Z
dc.date.issued2009
dc.departmentÇanakkale Onsekiz Mart Üniversitesi
dc.description.abstractUsing Coulomb-Yukawa like correlated Interaction potential of integer and noninteger Indices the series expansion formulae in terms of multicenter overlap integrals of three complete orthonormal sets of psi(alpha)-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 alpha = 1, 0, -1, -2,. The formulae obtained call be useful for the study of interaction between atomic-molecular systems containing any number of closed and open shells when the psi(alpha)-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 all example of application.. file 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.endpage2620
dc.identifier.issn0253-2964
dc.identifier.issn1229-5949
dc.identifier.issue11
dc.identifier.startpage2617
dc.identifier.urihttps://hdl.handle.net/20.500.12428/21930
dc.identifier.volume30
dc.identifier.wosWOS:000272759400021
dc.identifier.wosqualityQ3
dc.indekslendigikaynakWeb of Science
dc.language.isoen
dc.publisherWiley-V C H Verlag Gmbh
dc.relation.ispartofBulletin of The Korean Chemical Society
dc.relation.publicationcategoryinfo:eu-repo/semantics/openAccess
dc.rightsinfo:eu-repo/semantics/closedAccess
dc.snmzKA_WoS_20250125
dc.subjectpsi(alpha)-exponential type orbitals
dc.subjectCoulomb-Yukawa like interaction potentials
dc.subjectAddition theorems
dc.subjectHartrce-Fock-Roothaan approximation
dc.titleUse of Coulomb-Yukawa Like Correlated Interaction Potentials of Integer and Noninteger Indices and One-range Addition Theorems for ??-ETO in Evaluation of Potential of Electric Field Produced by Molecule
dc.typeArticle

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