An Adaptive Log-Laguerre Spectral Method for the Radial Dirac Equation: Resolving Asymptotic Decay and Core Singularities in Atomic Calculations

Sheng Chen, Sihong Shao, Shuai Wu

The high-precision solution of the radial Dirac equation is fundamental to relativistic quantum chemistry, essential for reliable pseudopotential generation and all-electron electr…