AT&T (United States)

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Generalized norm-conserving pseudopotentials

A method is introduced for computing norm-conserving pseudopotentials from all-electron atom potentials at arbitrary energies, rather than at bound-state energies only, as in ex...

1989 Physical review. B, Condensed matter 1152 citations

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company
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US
Publications
36
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115,406

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https://ror.org/02bbd5539