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- W4384811596 abstract "The potential energy curves for molecular ions up to $N_2^{4+}$ are calculated in an ab initio manner using the multi configurational self-consistent field method. Specifically, we implement in an automatic way a previously used double loop optimisation scheme within the multi configurational self-consisted field method. We obtain the potential energy curves up to $N_2^{4+}$ ions with any combination of core, inner valence, and outer valence holes. Finally, we provide the code used to generate these potential energy curves." @default.
- W4384811596 created "2023-07-20" @default.
- W4384811596 creator A5059505699 @default.
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- W4384811596 date "2023-07-18" @default.
- W4384811596 modified "2023-10-16" @default.
- W4384811596 title "Potential energy curves of molecular nitrogen up to $N_2^{4+}$" @default.
- W4384811596 doi "https://doi.org/10.48550/arxiv.2307.09217" @default.
- W4384811596 hasPublicationYear "2023" @default.
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