Analytical treatments for magnetic multipole moment integrals
| Autor: | E. Öztekin, Niyazi Yükçü, Sılay Aytaç Yükçü |
|---|---|
| Rok vydání: | 2021 |
| Předmět: |
Physics
Magnetic moment General Physics and Astronomy 02 engineering and technology 010402 general chemistry 021001 nanoscience & nanotechnology Translation (geometry) 01 natural sciences 0104 chemical sciences Matrix (mathematics) symbols.namesake Fourier transform Ladder operator Atomic orbital Moment (physics) symbols Physical and Theoretical Chemistry 0210 nano-technology Multipole expansion Mathematical physics |
| Zdroj: | Chemical Physics Letters. 771:138466 |
| ISSN: | 0009-2614 |
| DOI: | 10.1016/j.cplett.2021.138466 |
| Popis: | 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. |
| Databáze: | OpenAIRE |
| Externí odkaz: |
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