Gespeichert in:
| Hauptverfasser: | , , |
|---|---|
| Format: | Preprint |
| Veröffentlicht: |
2024
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| Schlagworte: | |
| Online-Zugang: | https://arxiv.org/abs/2406.04832 |
| Tags: |
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Inhaltsangabe:
- We report a quantum mechanical method for calculating the momentum distributions of constituent atoms of polyatomic molecules in rotational-vibrational eigenstates. Application of the present theory to triatomic molecules in the rovibrational ground state revealed that oscillatory changes appear on the proton momentum distribution in the nonlinear $\mathrm{H_2O}$ molecule, whilst no such modulation is present in the case of an oxygen atom in the linear $\mathrm{CO_2}$ molecule. The atomic momentum distributions were analyzed in detail by means of a rigid rotor model, and it was found that the oscillation originates from quantum-mechanical delocalization of the target atom with respect to the other atoms.