Year 2021, Volume 11 , Issue 1, Pages 73 - 82 2021-06-09

The Relativistic Two-center Overlap Integrals of Arbitrary Half-Integral Spin Particles
Keyfi Yarım Spinli Parçacıklar için Rölativistik İki-Merkezli Örtme İntegrali

Ali BAĞCI [1]


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.
Half-integral spin particles, Ψ^α-Exponential-Type Orbitals, Overlap Integrals, Multi-Center Integrals
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Primary Language en
Subjects Science
Journal Section Research Articles
Authors

Orcid: 0000-0001-7235-1713
Author: Ali BAĞCI (Primary Author)
Institution: PAMUKKALE ÜNİVERSİTESİ
Country: Turkey


Supporting Institution Scientific Research Coordination Unit of Pamukkale University
Project Number 2020BSP011
Thanks This work is dedicated in memory of Professor Israfil Guseinov who was my PhD thesis advisor. He well adapted his great experience on mathematical analysis for use in quantum chemistry especially when exponential-type orbitals are considered as a basis sets. His works on this field for me in fact, is still a source of inspiration to find an effective and practical solution for a mathematical expression that came to impasse. He unfortunately, passed away in February of last year.
Dates

Publication Date : June 9, 2021

Bibtex @research article { karaelmasfen813798, journal = {Karaelmas Fen ve Mühendislik Dergisi}, issn = {2146-7277}, address = {Zonguldak Bülent Ecevit Üniversitesi}, publisher = {Bulent Ecevit University}, year = {2021}, volume = {11}, pages = {73 - 82}, doi = {}, title = {The Relativistic Two-center Overlap Integrals of Arbitrary Half-Integral Spin Particles}, key = {cite}, author = {Bağcı, Ali} }
APA Bağcı, A . (2021). The Relativistic Two-center Overlap Integrals of Arbitrary Half-Integral Spin Particles . Karaelmas Fen ve Mühendislik Dergisi , 11 (1) , 73-82 . Retrieved from https://dergipark.org.tr/en/pub/karaelmasfen/issue/62732/813798
MLA Bağcı, A . "The Relativistic Two-center Overlap Integrals of Arbitrary Half-Integral Spin Particles" . Karaelmas Fen ve Mühendislik Dergisi 11 (2021 ): 73-82 <https://dergipark.org.tr/en/pub/karaelmasfen/issue/62732/813798>
Chicago Bağcı, A . "The Relativistic Two-center Overlap Integrals of Arbitrary Half-Integral Spin Particles". Karaelmas Fen ve Mühendislik Dergisi 11 (2021 ): 73-82
RIS TY - JOUR T1 - The Relativistic Two-center Overlap Integrals of Arbitrary Half-Integral Spin Particles AU - Ali Bağcı Y1 - 2021 PY - 2021 N1 - DO - T2 - Karaelmas Fen ve Mühendislik Dergisi JF - Journal JO - JOR SP - 73 EP - 82 VL - 11 IS - 1 SN - 2146-7277- M3 - UR - Y2 - 2020 ER -
EndNote %0 Karaelmas Fen ve Mühendislik Dergisi The Relativistic Two-center Overlap Integrals of Arbitrary Half-Integral Spin Particles %A Ali Bağcı %T The Relativistic Two-center Overlap Integrals of Arbitrary Half-Integral Spin Particles %D 2021 %J Karaelmas Fen ve Mühendislik Dergisi %P 2146-7277- %V 11 %N 1 %R %U
ISNAD Bağcı, Ali . "The Relativistic Two-center Overlap Integrals of Arbitrary Half-Integral Spin Particles". Karaelmas Fen ve Mühendislik Dergisi 11 / 1 (June 2021): 73-82 .
AMA Bağcı A . The Relativistic Two-center Overlap Integrals of Arbitrary Half-Integral Spin Particles. Karaelmas Fen ve Mühendislik Dergisi. 2021; 11(1): 73-82.
Vancouver Bağcı A . The Relativistic Two-center Overlap Integrals of Arbitrary Half-Integral Spin Particles. Karaelmas Fen ve Mühendislik Dergisi. 2021; 11(1): 73-82.
IEEE A. Bağcı , "The Relativistic Two-center Overlap Integrals of Arbitrary Half-Integral Spin Particles", Karaelmas Fen ve Mühendislik Dergisi, vol. 11, no. 1, pp. 73-82, Jun. 2021