Exactly solvable 1D model explains the low-energy vibrational level structure of protonated methane
A new one-dimensional model is proposed for the low-energy vibrational quantum dynamics of CH 5 + based on the motion of an effective particle confined to a 60-vertex graph Γ 60 with a single edge length parameter. Within this model, the quantum states of CH 5 + are obtained in analytic form and are...
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Veröffentlicht in: | Chemical communications (Cambridge, England) England), 2021-05, Vol.57 (39), p.4827-483 |
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Format: | Artikel |
Sprache: | eng |
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Zusammenfassung: | A new one-dimensional model is proposed for the low-energy vibrational quantum dynamics of CH
5
+
based on the motion of an effective particle confined to a 60-vertex graph
Γ
60
with a single edge length parameter. Within this model, the quantum states of CH
5
+
are obtained in analytic form and are related to combinatorial properties of
Γ
60
. The bipartite structure of
Γ
60
gives a simple explanation for curious symmetries observed in numerically exact variational calculations on CH
5
+
.
We present a simple, one-dimensional, exactly solvable model which explains not one but the first 60 vibrational eigenstates of the 6-atom molecule CH
5
+
. |
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ISSN: | 1359-7345 1364-548X |
DOI: | 10.1039/d1cc01214b |