Saved in:
| Main Author: | |
|---|---|
| Format: | Preprint |
| Published: |
2025
|
| Subjects: | |
| Online Access: | https://arxiv.org/abs/2511.01899 |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
| _version_ | 1866909885588832256 |
|---|---|
| author | Pathak, Krishna Kingkar |
| author_facet | Pathak, Krishna Kingkar |
| contents | Hydrogen bonds play a pivotal role in chemistry, biology, and condensed-matter physics, where quantum tunnelling can strongly influence structure and dynamics. Isotope substitution (H $\rightarrow$ D) provides a sensitive probe of such tunnelling, but theoretical descriptions often rely on purely numerical models or simplified potentials that obscure physical interpretation. Here we employ a Cornell-type potential combined with a double-well Schrödinger approach to investigate proton and deuteron tunnelling across hydrogen bonds. The model yields semi-analytical wavefunctions and tunnelling splittings that transparently capture isotope-dependent quantum effects. We present scaling behaviour of tunnelling splittings with isotope mass, discuss the influence of barrier width and curvature, and compare model trends with representative experimental and computational results. Beyond hydrogen bonding, the framework provides a general methodology for modelling tunnelling in double-well systems relevant to spectroscopy, enzymatic catalysis, and materials applications. |
| format | Preprint |
| id |
arxiv_https___arxiv_org_abs_2511_01899 |
| institution | arXiv |
| publishDate | 2025 |
| record_format | arxiv |
| spellingShingle | Quantum Tunnelling Across Hydrogen Bonds: Proton--Deuteron Isotope Effects from a Cornell-Type Potential Model Pathak, Krishna Kingkar Chemical Physics High Energy Physics - Phenomenology Chaotic Dynamics Hydrogen bonds play a pivotal role in chemistry, biology, and condensed-matter physics, where quantum tunnelling can strongly influence structure and dynamics. Isotope substitution (H $\rightarrow$ D) provides a sensitive probe of such tunnelling, but theoretical descriptions often rely on purely numerical models or simplified potentials that obscure physical interpretation. Here we employ a Cornell-type potential combined with a double-well Schrödinger approach to investigate proton and deuteron tunnelling across hydrogen bonds. The model yields semi-analytical wavefunctions and tunnelling splittings that transparently capture isotope-dependent quantum effects. We present scaling behaviour of tunnelling splittings with isotope mass, discuss the influence of barrier width and curvature, and compare model trends with representative experimental and computational results. Beyond hydrogen bonding, the framework provides a general methodology for modelling tunnelling in double-well systems relevant to spectroscopy, enzymatic catalysis, and materials applications. |
| title | Quantum Tunnelling Across Hydrogen Bonds: Proton--Deuteron Isotope Effects from a Cornell-Type Potential Model |
| topic | Chemical Physics High Energy Physics - Phenomenology Chaotic Dynamics |
| url | https://arxiv.org/abs/2511.01899 |