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Efficient Evaluation of Molecular Electrostatic Potential in Large Systems

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Figure

Figure 1. Partition of two-center electron densities,( χAχB, into atomic fragments dAab, dBab: (a) DAM,b) Mulliken.
Table 1. Precision of MESP computed with the current algorithm.
Figure 2. MESP precision.
Table 2. Computational cost in seconds of MESP computation with the current algorithm a
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