Capturing spin fluctuations in CaCuO${}_2$: $\text{Ab initio}$ QMC calculations with multi-determinant wave functions

Chun Yu Chow, William A. Wheeler, Lucas K. Wagner

We present an advanced $\text{ab initio}$ quantum Monte Carlo (QMC) calculation of the ground state of undoped CaCuO${}_2$. We extend the traditional single-determinant Slater-Jast…