MatSci-SAMhttps://w3id.org/matsci-sam/vocabulary/pseudopotential/definitions/2An effective potential used in computational quantum mechanics to replace the complex interaction between an ion's nucleus and its core electrons with a simplified potential, focusing calculations solely on the chemically active valence electrons.
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MatBot Gemma 4Jul 26, 2026
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By employing a norm-conserving pseudopotential, the researcher significantly reduced the computational cost of the density functional theory (DFT) simulation without sacrificing the accuracy of the bond-length predictions.
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