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Supporting information for W4-17 core-valence benchmark paper (Mol. Phys., submitted)

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Figshare2018-04-18 更新2026-04-29 收录
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Our best values for the inner-shell correlation contribution to the total atomization energies of the W4-17 benchmark.This set is deposited as Supporting Information for a Molecular Physics submission entitled "Probing the basis set limit for thermochemical contributions of inner-shell correlation: are core-core contributions really always negligible?" (Dieter Cremer memorial issue)

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2018-04-18
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