2026-10-15T11:13:35Z https://data.mendeley.com/oai

oai:data.mendeley.com/3w4rvpyhf9.1 2025-08-05T12:19:28Z

Ballantyne, John KaiEDJ: A program conducting dynamical mean-field theory and magnetic force theory calculation for correlated magnetic materials Mendeley Data We report the development of a new code KaiEDJ which is designed for the combined analysis of correlated electronic structure and magnetism. First, the program provides the self-consistent dynamical mean-field theory solution with its own exact diagonalization ‘solver’. By means of the easy-to-use controllable interface to the external ‘solvers’, it is also capable of conducting quantum Monte Carlo based dynamical mean-field theory calculations. Second, KaiEDJ performs magnetic force response theory to compute magnetic coupling constants. As its input Hamiltonian can be constructed from first-principles density functional theory typically through Wannier-type projections, it can serve as a useful tool for studying correlated magnetic materials. Finally, it provides the internal mode of computing spin wave dispersion based on semi-classical approximation. Benchmark calculation results on several prototypical materials are presented together with the details of usage. Magnetic Material Condensed Matter Physics Computational Physics Electronic Structure Lee, Hyeong Jun Kim, Taek Jung Yoon, Hongkee Han, Myung Joon Dataset doi:10.17632/3w4rvpyhf9.1 oai:data.mendeley.com/3w4rvpyhf9.1 GNU Lesser General Public License https://www.gnu.org/licenses/lgpl-3.0.txt https://data.mendeley.com/datasets/3w4rvpyhf9 2025-08-05T12:19:28Z