New Numerical Approach to Calculate Microstates of Equivalent and Non-Equivalent Electrons | [Proceedings of the Pakistan Academy of Sciences: A. Physical and Computational Sciences • 2023]

Author(s):

1. Misha Shafi: Department of Physics, University of Karachi, Karachi, Pakistan

2. Saba Javaid: Department of Physics, NED University of Engineering & Technology, Karachi, Pakistan; Department of Physics, Federal Urdu University of Arts, Science & Technology, Karachi, Pakistan

3. Roohi Zafar: Department of Physics, NED University of Engineering & Technology,Karachi,Pakistan

4. Ahmed Ali Rajput: Department of Physics, University of Karachi, Karachi, Pakistan

5. Muhammad Mustaqeem Zahid: Department of Physics, University of Karachi, Karachi, Pakistan

6. Muhammad Daniyal: Department of Physics, University of Karachi, Karachi, Pakistan

Abstract:

A term symbol is used to describe atomic microstate stateisn,fworhmicahtigoinveotnhethmeusplteipcltircaitlyananddmtoatganleatnigcuplraorperties momentum of the atomic state. Russel Sauder coupling scheme is oufsevdatroioguesneeraletemteenrmtss [o1f].eqTuhiveasleenttearnmd nvoanl-ues are equivalent electronic configurations. For equivalent electrons, the termhsealrpefcuallcutloatediduesnintigfyPauclio'sefpfriicniceinptles, anodf thferactional number of terms is limited and is calculated by the combination rulep.aTrheenttoatgael possiwblaeveelfeucntrcotnisonansd total availablehaving of of elements electrons are used in the combination formula. In case of non-equivalent electrons, the number of terms are found by complex structures like Praseodymium, Tantalum the permutation rule. The number of terms for equivalent electrons is less than the terms for non-equivalent electrons. The number of possible microstates for p2 and d5 configurations are e1t5c.andH2e5n2ryrespReuctsisveellly. Wanhdile tFhreenduemricbker oSfaunders ifnal microstates for 1p2p and 3d4d configurations are 36 and 100. IinnttrhoedupcroepdosedthestudyR,uassPeyltlh-Sonaupnrdoegrrsamm(wehich is was developed that generates the microstate according to filled andabhbalrfe-vfillieadtesdubassheRll-Sel)ecstcrohneimcecofnofigrurtahteionfisrst time in for equivalent, non-equivalent, and combinations of both. Examples19of23m.iIcnroitsitaaltleys, fitowrnaosnu-seeqduitvoaleelnetcterloecntsroinshoaflf-filled configuration 1s2s, sp, sd, ss, 2p3p, pd, pf, 3d4d, df, 4f5f and for equoirvbailtesntoefleacttormonss wofitchonlfigouwraetrioanto msui,cpvn,udmx, abnedrs since f y are presented.

Page(s): 29-33

DOI: 10.53560/PPASA(60-4)670

Published: Journal: Proceedings of the Pakistan Academy of Sciences: A. Physical and Computational Sciences, Volume: 60, Issue: 4, Year: 2023

Keywords:

Term Symbols , Equivalent and NonEquivalent Electrons , Microstates , LS , Pauli Exclusion Principle

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