A new combined quantum simulation approach for nanomagnets

We have developed a new quantum Monte Carlo approach and utilized it to calculate the magnetic structure, magnetization, and specific heat, etc., of nanoparticles composed of 3d magnetic ions. For comparison, we also performed simulations with the self-consistent computational algorithm which we proposed recently. The calculated results obtained with the two methods are identical, verifying their correctness. We also found that the combination of the two above algorithms can improve the computational efficiency considerably and have more general applicability.

► We proposed a quantum Monte Carlo (QMC) model and applied it to 3d magnetic nanoparticles.
► For comparison, simulations were also performed with the self-consistent algorithm.
► The magnetic quantities calculated with the two methods are identical.
► The new QMC is able to study all eigenstates, but the old QMC only the ground state.
► The combination of the two methods can improve the computing efficiency considerably.