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quant-ph2024
Relativistic exponential-type spinor orbitals and their use in many-electron Dirac equation solution
Ali Bagci
Dirac-Coulomb type differential equation and its solution relativistic exponential-type spinor orbitals are introduced. They provide a revised form for operator invariants, namely…
quant-ph2023
Solution of the Dirac-Coulomb equation using the Rayleigh-Ritz method. Results for He-like atoms
A. Bağcı, P. E. Hoggan
The Dirac-Coulomb equation for helium-like ions is solved using the iterative self-consistent field method, with Slater-type spinor orbitals as the basis. These orbitals inherently…
quant-ph2014
Performance of numerical approximation on the calculation of two-center two-electron integrals over non-integer Slater-type orbitals using elliptical coordinates
Ali Bağcı, Philip E. Hoggan
The two-center two-electron Coulomb and hybrid integrals arising in relativistic and nonrelativistic ab-initio calculations of molecules are evaluated over the non-integer Slater-t…