Aydın, RamazanGuseinov, I. I.Aydin, R.Bagci, A.Department of Electrical & Electronics Engineering2024-07-052024-07-05201211478-643510.1080/14786435.2012.6702842-s2.0-84861839179https://doi.org/10.1080/14786435.2012.670284https://hdl.handle.net/20.500.14411/1425Bagci, Ali/0000-0001-7235-1713;Analytical relations are derived for two-center overlap integrals over the basis set of 2(2s + 1)-component Slater-type spinor orbitals, which can be used for the solution of generalized Dirac equation, introduced by one of the authors, in the linear combination of atomic orbitals approach, where s = 1/2, 3/2, 5/2,.... These relativistic integrals are reduced to the linear combinations of two-center non-relativistic overlap integrals of scalar Slater-type orbitals. The calculations for non-relativistic overlap integrals are performed with the arbitrary values of quantum numbers, screening constants and the location of orbitals. To obtain more accurate results from the calculations, the well-known auxiliary functions A(n) and B-n are used. It is observed that the computer program carrying out these extended calculations, indeed, works without any restrictions and in all ranges of orbital parameters.eninfo:eu-repo/semantics/closedAccessgeneralized Dirac equationSlater-type spinor orbitaloverlap integralauxiliary functionArticleQ3Q3921823752381WOS:000304598600007