Analytical treatments for magnetic multipole moment integrals

Yukcu S. A., YÜKÇÜ N., Öztekin E.

CHEMICAL PHYSICS LETTERS, cilt.771, 2021 (SCI-Expanded) identifier identifier

  • Yayın Türü: Makale / Tam Makale
  • Cilt numarası: 771
  • Basım Tarihi: 2021
  • Doi Numarası: 10.1016/j.cplett.2021.138466
  • Dergi Adı: CHEMICAL PHYSICS LETTERS
  • Derginin Tarandığı İndeksler: Science Citation Index Expanded (SCI-EXPANDED), Scopus, Academic Search Premier, Chemical Abstracts Core, INSPEC
  • Anahtar Kelimeler: Magnetic multipole moments, Molecular integrals, Slater type orbitals, Fourier transform method, Ladder operators, FOURIER-TRANSFORM, HYPERSPHERICAL HARMONICS, ASYMPTOTIC-BEHAVIOR, ORBITALS, OVERLAP
  • Ondokuz Mayıs Üniversitesi Adresli: Evet

Özet

This work presents a new method for the analytical evaluation of magnetic multipole moment integrals (MMMIs) using Slater type orbitals (STOs), the Fourier transform method and some translation equations. These integrals are one type of the molecular integrals and their solutions are important for better understanding of properties of molecular structure. In this work, magnetic multipole moment operators are translated to another atomic center and the x-, y-, and z- components of MMMIs are obtained in terms of overlap integrals. Moreover, by using ladder operators, the matrix representations and commutation relations of magnetic dipole moment operators have been obtained successfully.