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The correct total energy of the system is later determined by adding the (Formula presented) (which is a finite quantity, although each of the three components are individually divergent) to the total Kohn-Sham electronic energy (Refs. 30 and 31
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The correct total energy of the system is later determined by adding the (Formula presented) (which is a finite quantity, although each of the three components are individually divergent) to the total Kohn-Sham electronic energy (Refs. 30 and 31).
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