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- W2022271087 abstract "Highly correlated ab initio calculations for the potential-energy surfaces of the systems Na−N2, Na−HCN, and Na−C2H2 have been performed, where the Na atom is in the 3s ground state or in the 3p excited state, and the molecules are kept fixed in their equilibrium configurations. The purpose of these calculations was to enable computer simulation of optical-scattering experiments. In this paper, model considerations are presented that allow easy qualitative understanding of the shapes of the calculated surfaces." @default.
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- W2022271087 date "2001-06-13" @default.
- W2022271087 modified "2023-10-17" @default.
- W2022271087 title "Potential Energy Surfaces for the Na(3p)N2, Na(3p)HCN and Na(3p)C2H2 Complexes:Ab Initio Calculations and Model Considerations" @default.
- W2022271087 doi "https://doi.org/10.1002/1522-2675(20010613)84:6<1459::aid-hlca1459>3.0.co;2-j" @default.
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