Computational comparison of the conventional multislice method and the real space multislice method for simulating exit wavefunctions.
The simulation of exit wavefunctions of a TEM sample is carried out by both the conventional multislice (C-MS) method and the real space multislice (RS-MS) method, with a series of different slice thicknesses. Surprisingly, the results calculated by the RS-MS method remain constant to seven significant figures when the slice thicknesses are changed within a wide range, while those calculated by the C-MS method change significantly. From the mathematical point of view, the C-MS method is only a first order approximation of the RS-MS method. Thus, the calculation precision of the RS-MS method is much higher than that of the C-MS method. Or to achieve the same precision, the slice thickness for the RS-MS method can be taken as two orders of magnitude larger than for the C-MS method in the simulation. As a result, the calculation speed for the RS-MS method may be even faster than that for the C-MS method in some cases. For the two advantages stated above, the RS-MS method may be more suitable for precise calculations.
Cai
Can Ying
CY
Institute of Modern Physics, Xiangtan University, Xiangtan 411105, China.
Zeng
Song Jun
SJ
Liu
Hong Rong
HR
Yang
Qi Bin
QB
D000465:Algorithms; D003198:Computer Simulation; D046529:Microscopy, Electron, Transmission / Q000379:methods*; D008962:Models, Theoretical