Relativistic effects on atomic orbitals across the periodic table: Insights from spin-separated Dirac–Coulomb–Breit Hamiltonian | Synapse
February 11, 2026
Relativistic effects on atomic orbitals across the periodic table: Insights from spin-separated Dirac–Coulomb–Breit Hamiltonian
Key Points
The research aims to explore how relativistic effects influence atomic orbitals in various neutral closed-shell atoms throughout the periodic table.
Utilized spin-separated Dirac–Coulomb–Breit Hamiltonian for calculations.
Investigated neutral closed-shell atoms including Be, Mg, Ca, Sr, Ba, Ra, Ne, Ar, Kr, Xe, Rn, Zn, Cd, Hg, Cn, Yb, and No.
Analyzed the orbital structures to assess relativistic impacts.
Identified significant changes in atomic orbitals due to relativistic effects across different elements.
Found that relativistic effects vary in strength depending on the position within the periodic table.
Abstract
Neutral closed-shell atoms across the periodic table (Be, Mg, Ca, Sr, Ba, Ra, Ne, Ar, Kr, Xe, Rn, Zn, Cd, Hg, Cn, Yb, and No) were investigated with spin-separated Dirac–Coulomb...