# Comparison of exact-exchange calculations for solids in current-spin-density- and spin-density-functional theory

## TL;DR

This paper compares current-spin-density- and spin-density-functional theories for solids, focusing on exact-exchange calculations of magnetic properties, and finds limited improvements with the current-spin approach over traditional spin-density methods.

## Contribution

It provides a systematic evaluation of the relative performance of current-spin-density- and spin-density-functional theories in calculating magnetic properties of solids.

## Key findings

- No significant accuracy improvement with current-spin-density functional for magnetic solids.
- Spin-orbit splittings and magnetic moments are similar across both methods.
- The current-spin approach does not markedly outperform the spin-density approach in the tested cases.

## Abstract

The relative merits of current-spin-density- and spin-density-functional theory are investigated for solids treated within the exact-exchange-only approximation. Spin-orbit splittings and orbital magnetic moments are determined at zero external magnetic field. We find that for magnetic (Fe, Co and Ni) and non-magnetic (Si and Ge) solids, the exact-exchange current-spin-density functional approach does not significantly improve the accuracy of the corresponding spin-density functional results.