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Data and codes for Ab initio correlated calculations without basis set error: Numerically precise all-electron RPA correlation energies for diatomic molecules.

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Figshare2025-10-12 更新2026-04-28 收录
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The main codes and data for Ab initio correlated calculations without basis set error: Numerically precise all-electron RPA correlation energies for diatomic molecules.

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2025-10-12
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