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- W2033673775 abstract "We employ the complete active space multiconfiguration self-consistent method followed by large-scale configuration interaction (CI) calculations which included d-electron correlations and 5p orbitals of Ag for 15 electronic states of the silver dimer (Ag2). The spectroscopic constants (re,Te,ωe) and potential energy curves for these states are computed. Our computed constants are in good agreement with the known experimental values for the X 1Σg+, A 1Σu+, and B 1Πu states. We also predict the spectroscopic constants of several other states [3Σu+,3Πu,1Σg+(II), 3Σg+,1Πg,3Πg,3Σu+(II)] which are yet to be observed." @default.
- W2033673775 created "2016-06-24" @default.
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- W2033673775 date "1993-05-01" @default.
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- W2033673775 title "Spectroscopic constants and potential energy curves for 15 electronic states of Ag2" @default.
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- W2033673775 doi "https://doi.org/10.1063/1.464752" @default.
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