Expansion formulae for two-center charge densities of integer and noninteger n generalized exponential type orbitals applied to evaluation of multicenter multielectron integrals
| dc.contributor.author | Guseinov, Israfil Isa | |
| dc.date.accessioned | 2025-01-27T20:22:31Z | |
| dc.date.available | 2025-01-27T20:22:31Z | |
| dc.date.issued | 2010 | |
| dc.department | Çanakkale Onsekiz Mart Üniversitesi | |
| dc.description.abstract | The series expansion formulae in terms of complete orthonormal sets of I (alpha) -exponential type orbitals introduced by the author are derived for the two-center charge densities of integer and noninteger n generalized exponential functions. The expansion coefficients arising in these relations are the multicenter overlap integrals of three I (alpha) -functions. The charge density expansion formulae obtained are utilized for the evaluation of multicenter multielectron integrals appearing in the Hartree-Fock-Roothaan and explicitly correlated theories when the generalized exponential type orbitals are employed as basis functions. | |
| dc.identifier.doi | 10.1007/s10910-009-9578-5 | |
| dc.identifier.endpage | 390 | |
| dc.identifier.issn | 0259-9791 | |
| dc.identifier.issue | 1 | |
| dc.identifier.scopus | 2-s2.0-72949087710 | |
| dc.identifier.scopusquality | Q2 | |
| dc.identifier.startpage | 384 | |
| dc.identifier.uri | https://doi.org/10.1007/s10910-009-9578-5 | |
| dc.identifier.uri | https://hdl.handle.net/20.500.12428/21931 | |
| dc.identifier.volume | 47 | |
| dc.identifier.wos | WOS:000273162000030 | |
| dc.identifier.wosquality | Q2 | |
| dc.indekslendigikaynak | Web of Science | |
| dc.indekslendigikaynak | Scopus | |
| dc.language.iso | en | |
| dc.publisher | Springer | |
| dc.relation.ispartof | Journal of Mathematical Chemistry | |
| dc.relation.publicationcategory | info:eu-repo/semantics/openAccess | |
| dc.rights | info:eu-repo/semantics/closedAccess | |
| dc.snmz | KA_WoS_20250125 | |
| dc.subject | Generalized exponential functions | |
| dc.subject | Psi(alpha)-Exponential type orbitals | |
| dc.subject | Charge densities | |
| dc.subject | Multicenter multielectron integrals | |
| dc.title | Expansion formulae for two-center charge densities of integer and noninteger n generalized exponential type orbitals applied to evaluation of multicenter multielectron integrals | |
| dc.type | Article |
