RSDFT

AcronymDefinition
RSDFTReal-Space Density Functional Theory
References in periodicals archive ?
Then, it is observed that the errors in the 2D MFFT and the 1D rSDFT + 1D FFT are accumulated as n increases, as shown in Figure 8.
Caption: FIGURE 8: Numerical errors of the 2D MFFT and the 1D rSDFT + 1D FFT algorithm which accumulate over 106 iterations.
RSDFT calculates the Laplacian and then computes the ionic potential of the molecule.