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Open Quantum Systems Decoherence
Quantum Chemistry
Quantum Simulation
Non-adiabatic theory of the hydrogen bond. Quantum computation?
arXiv
Authors: I. Hubač, S. Wilson
Year
2021
Paper ID
40898
Status
Preprint
Abstract Read
~2 min
Abstract Words
75
Citations
N/A
Abstract
The hydrogen bond is usually described within the clamped nucleus approximation in which electronic and vibrational motions are considered separately. This approach leads to a double-well potential which facilitates proton tunnelling. In this work, the hydrogen bond is described by a formalism based on the non-adiabatic Hamiltonian in which electronic and vibrational motions are coupled. Quasi-degeneracy associated with the hydrogen bond supports this approach which is shown to afford an alternative picture of proton tunnelling.
Why This Paper Matters
- This paper contributes to the Quantum Simulation research area in the Quantum Articles archive.
- It adds a 2021 reference point for readers tracking recent quantum research.
- The hydrogen bond is usually described within the clamped nucleus approximation in which electronic and vibrational motions are considered separately.
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