Figure 5
Difference, in e Å−3, as a function of the distance r to the atomic center, between the atomic image (8–9) for atoms of C, Fe and Au, and several approximations (1) to it, varying the number of terms K. A green bar at the axis shows the value of the respective atomic image at its center divided by 100. is computed for images of resolution of 2 Å and 5 Å up to the distance limit . Colored arrows matching the curves' colors indicate the value of the largest for the given approximation. Terms with (considered here as , , and ) may be insufficient to produce an accurate approximation for the points close to and one or two next terms beyond may notably reduce the error. |