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- W2015121858 abstract "Abstract The vertical ionization potentials of model hydrogen chains have been calculated, in the framework of STO ‐3 G and 4‐31 G bases, at the second‐order level of the many‐body Green's function theory. Compared to the second‐order many‐body perturbation theory, this approach provides a qualitative description of trends observed with orbital relaxation, pair removal, and pair relaxation effects when studying oligomeric systems of increasing size with varying bond length." @default.
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- W2015121858 date "1992-01-20" @default.
- W2015121858 modified "2023-10-18" @default.
- W2015121858 title "Application of the Green's function theory to the calculation of ionization potentials of model oligomeric systems" @default.
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- W2015121858 doi "https://doi.org/10.1002/qua.560410202" @default.
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