Relativistic multiconfiguration calculations of energy levels, transition rates and hyperfine constants in neutral indium

ATALAY B.

Journal of Quantitative Spectroscopy and Radiative Transfer, cilt.352, 2026 (SCI-Expanded, Scopus) identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 352
  • Basım Tarihi: 2026
  • Doi Numarası: 10.1016/j.jqsrt.2026.109812
  • Dergi Adı: Journal of Quantitative Spectroscopy and Radiative Transfer
  • Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus, Artic & Antarctic Regions, Chemical Abstracts Core, Chimica, Compendex, Geobase, INSPEC
  • Anahtar Kelimeler: Energy levels, Hyperfine constants, Multiconfiguration Dirac–Hartree–Fock method, Natural orbitals, Transition rates
  • Çanakkale Onsekiz Mart Üniversitesi Adresli: Evet

Özet

Energies for states of the 5s2np(n=5−8), 5s24f odd and the 5s2ns(n=6−8), 5s2nd(n=5,6), and 5s5p2 even configurations in neutral indium are obtained using the fully relativistic multiconfiguration Dirac–Hartree–Fock (MCDHF) method. Transition probabilities and oscillator strengths among all these states are given. The magnetic dipole and electric quadrupole hyperfine structure constants are evaluated. To ensure robustness and reliability of the results, different computational strategies and correlation models were used. Employing a natural orbital basis improves the accuracy of computed values significantly and gives better agreement with the experimental values.