APPLICABILITY AND EFFECTIVENESS OF BESSEL TYPE ORBITALS WITH NONINTEGRAL ORDERS TO CALCULATION OF ISOELECTRONIC SERIES OF HE ATOM

Ertürk M., Coşkun M.

TÜRK FİZİK DERNEĞİ 38. ULUSLARARASI FİZİK KONGRESİ, Muğla, Türkiye, 31 Ağustos - 04 Eylül 2022, ss.79

  • Yayın Türü: Bildiri / Özet Bildiri
  • Basıldığı Şehir: Muğla
  • Basıldığı Ülke: Türkiye
  • Sayfa Sayıları: ss.79
  • Çanakkale Onsekiz Mart Üniversitesi Adresli: Evet

Özet

By the use of new radial basis functions constructed from non-integer Slater type orbitals with modified double hyperbolic cosine functions (NISTO-MDHC), Hartree-Fock(HFR) calculations have been performed to the analyze both binding and first ionizations energies (BEs and IEs) in LCAO approach for some light atoms, from atomic number Z=5 to Z=10. The results obtained then compared with the experimental values. We observed that the accuracy of NISTO-MDHC basis sets constructed in this study are satisfy the reliability and validity criteria (with a range of 0.027 to 0.13 Rydberg unit for BEs and with a range of 0.84 to 1.51 Rydberg unit for IEs). Keywords : Binding energy, Ionization energy, Hartree-Fock method, Slater type orbitals This work was financially supported by the Research Fund of the Çanakkale Onsekiz Mart University, project number: FHD-2022-3958.