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Near Chemical Accuracy From Size-Consistent Padé Resummed Møller-Plesset Perturbation Theory

Bystrom, Kyle et al.
arXiv (All) · Papers
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chemical-physics
Padé resummation of the correlation energy from Møller-Plesset (MP) perturbation theory is not size-consistent and is therefore seldom used. We present an orbital-based Padé resummation of the MP2 and MP3 self-energy operators, whose trace yields a size-consistent correlation energy. We find that da
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