MatSci-SAMhttps://w3id.org/matsci-sam/vocabulary/pseudopotential/definitions/1A simplified stand-in for the nucleus and tightly bound core electrons of an atom, constructed so that the valence electrons behave as they would in the full system. Replacing the sharply varying core region with a smooth effective potential is what makes plane-wave electronic structure calculations tractable.
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Results from two studies disagreed until the authors noted that each had used a different pseudopotential for oxygen.
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