We report one algorithm for simulating oxygen $K$-edge RIXS for weakly correlated systems, using maximally localized Wannier functions as the basis set. The $N$-electron wavefunction is formulated using the single Slater determinant, and the many-body effect is treated explicitly at the dipole matrix element level. The simulated result of oxygen $K$-edge RIXS for solid state Li$_2$CO$_3$ matches well with the experimental data. Besides being efficient and reasonably accurate, this algorithm also shows potential to extent to more complex RIXS problems.
Categories: cond-mat.mtrl-sci