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For the hydrogen atom, we use a more accurate BFD pseudopotential and basis set. Dolg, M.; Filippi, C., private communication.
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We take the diffuse functions for the heavy atoms atoms from the aug-cc-pVXZ basis sets in the EMSL Basis Set Library.
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We take the diffuse functions for the heavy atoms atoms from the aug-cc-pVXZ basis sets in the EMSL Basis Set Library (http://bse.pnl.gov).
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