Spin-Resolved Dielectric Bath Embedding Theory for Metallic Surfaces.

We introduce spin-resolved dielectric bath embedding theory (SR-DBET), which incorporates a physics-informed embedding potential to describe attractive and repulsive interactions, a charge dielectric bath to capture charge polarization, and a spin dielectric bath to account for spin density fluctuations. We demonstrate the accuracy of SR-DBET through adsorption energy calculations on Cu surfaces. This embedding scheme is essential for extending embedded correlated wave function theory to spin-polarized quantum systems.