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- W2022385093 abstract "Abstract The simple case of the O 2 molecule is used to illustrate the construction and implementation of projection operators for specific symmetry species of infinite continuous groups. The basic theory is quite analogous to that for finite groups, summations over all group elements being replaced by integrations over the group manifold. For linear molecules, with groups C ∞v , D ∞h , these integrations over the group manifold reduce to simple one‐dimensional integrals of periodic functions. The final wave functions are used to derive a crude estimate of the energy splittings of the multiplets 3 Σ − g , 1 Δ g and 1 Σ + g in the π 2 g ground configuration of O 2 ." @default.
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- W2022385093 date "1980-01-01" @default.
- W2022385093 modified "2023-10-16" @default.
- W2022385093 title "Generation of Symmetry-Adapted Wave-Functions for O2Using Group Theoretical Projection Operators" @default.
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- W2022385093 doi "https://doi.org/10.1002/ijch.198000023" @default.
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