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| automated_construction_of_atomic_valence_active_spaces [2023/08/30 11:13] – [AVAS as independent program] werner | automated_construction_of_atomic_valence_active_spaces [2024/01/08 13:24] (current) – external edit 127.0.0.1 | ||
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| Example for a double d-shell CASSCF for the Cu-atom: | Example for a double d-shell CASSCF for the Cu-atom: | ||
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