Further, for Fe[Cor]Ph, there are three dominant transitions responsible for the preedge energy peak shown in Figure . The electronic configuration of each excited state is provided in Table . In this case, the first excited state is majorly dominated by one electronic configuration with 79% contribution where the β 1s electron excites to 3d xz from GS-1. The second configuration with 7% contribution also involves the transfer of β 1s electron to 3d xz from GS-2. The second excited state is similar to the first one with the difference that the electron here is excited to 3d yz . The third excited state consists of four distinct contributions and is notably the most intense. The first, with 55% contribution, includes the transition of a β 1s electron to 3d xz , followed by the movement of an α 3d xz electron to 3d z 2 +σ C (from GS-1). The second transition (18%) involves a similar process with the β 1s electron moving to 3d yz and the α 3d yz electron proceeding to 3d z 2 +σ C (from GS-1). These transitions are characterized as involving more complex configurations than merely singly excited states and are not captured by DFT. The remaining two transitions include a direct shift of a 1s β electron to 3d z 2 +σ C (from GS-1) and to 3d z 2 -σ C (from GS-2)