The Relativistic Two-center Overlap Integrals of Arbitrary Half-Integral Spin Particles

Authors : Ali BAĞCI

Pages : 73-82

View : 93 | Download : 11

Publication Date : 2021-06-09

Article Type : Research Paper

Abstract :The relativistic Ψ^αs-exponential-type spinor orbitals for arbitrary half-integrals spin s, s=1/2,3/2,5/2,… particles is defined. The two-center overlap integrals of spin s=1/2 spinors are generalized to any half-integral spin. They are expressed in terms of non-relativistic Ψ^α-exponential-type orbitals introduced by Guseinov, where α=1,0,-1,-2,-3,…. The relativistic molecular auxiliary functions approximation derived in a previous paper by the author in [Physical Review E 2015; 91(2): 023303] is used for computation of the two-center integrals. The calculations are performed for spin s, s=1/2, s=3/2 and α=1,0,-1,-2,-3,-4,-5 for each value of spin. The coupling feature between lower- and upper-components of Ψ^αs-exponential-type spinor orbitals ensure that the kinetic-balance condition is fulfilled. It is shown that, the suggested relativistic basis spinors in the present study available to be used for algebraic solution of the generalized Dirac equation.
Keywords : Half integral spin particles, Ψ^α Exponential Type Orbitals, Overlap Integrals, Multi Center Integrals

ORIGINAL ARTICLE URL