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Correcting basis-set errors due to the absence of the electron-electron cusp using an adiabatic correction

Scemama, Anthony et al.
arXiv (All) · Papers
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chemical-physics
This article proposes an analytical method to address the slow convergence of electronic structure calculations caused by the inability of finite one-particle basis sets to describe the electron-electron cusp. An equivalence is established between a calculation using a finite basis set with the ph
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