4.7 Article

Exactly solvable 1D model explains the low-energy vibrational level structure of protonated methane

Journal

CHEMICAL COMMUNICATIONS
Volume 57, Issue 39, Pages 4827-4830

Publisher

ROYAL SOC CHEMISTRY
DOI: 10.1039/d1cc01214b

Keywords

-

Funding

  1. EPSRC grant CHAMPS [EP/P021123/1]
  2. NKFIH [K119658]
  3. ELTE Institutional Excellence Program - Hungarian Ministry of Human Capacities [TKP2020-IKA-05]
  4. EPSRC [EP/P021123/1] Funding Source: UKRI

Ask authors/readers for more resources

This study presents a new one-dimensional model for the low-energy vibrational quantum dynamics of CH5+, based on the motion of an effective particle on a 60-vertex graph Gamma(60) with a single edge length parameter. The quantum states of CH5+ are obtained analytically within this model and are linked to combinatorial properties of Gamma(60). The bipartite structure of Gamma(60) provides a simple explanation for the curious symmetries observed in numerically exact variational calculations on CH5+.
A new one-dimensional model is proposed for the low-energy vibrational quantum dynamics of CH5+ based on the motion of an effective particle confined to a 60-vertex graph Gamma(60) with a single edge length parameter. Within this model, the quantum states of CH5+ are obtained in analytic form and are related to combinatorial properties of Gamma(60). The bipartite structure of Gamma(60) gives a simple explanation for curious symmetries observed in numerically exact variational calculations on CH5+.

Authors

I am an author on this paper
Click your name to claim this paper and add it to your profile.

Reviews

Primary Rating

4.7
Not enough ratings

Secondary Ratings

Novelty
-
Significance
-
Scientific rigor
-
Rate this paper

Recommended

No Data Available
No Data Available