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Open Quantum Systems Decoherence Quantum Chemistry

Signature of nonadiabatic transitions on the pump-probe infrared spectra of a hydrogen-bonded complex dissolved in a polar solvent: a computational study.

PubMed
Authors: Hanna G, Geva E

Year

2011

Paper ID

12325

Status

Peer-reviewed

Abstract Read

~2 min

Abstract Words

70

Citations

19

Abstract

The mixed quantum-classical Liouville equation provides a unified and self-consistent platform for modeling the spectral signatures of nonequilibrium solvation dynamics, non-Condon effects, and nonadiabatic transitions. These features are demonstrated in this paper in the context of the pump-probe infrared spectra of the hydrogen stretch in a moderately strong hydrogen-bonded complex dissolved in a polar solvent. Particular emphasis is put on incorporating nonadiabatic transitions and accounting for their unique spectral signature.

Why This Paper Matters

  • This paper contributes to the Quantum Chemistry research area in the Quantum Articles archive.
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  • The mixed quantum-classical Liouville equation provides a unified and self-consistent platform for modeling the spectral signatures of nonequilibrium solvation dynamics...

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References & Citation Signals

[1] DOI https://doi.org/10.1021/jp1061495 [2] Publisher https://pubmed.ncbi.nlm.nih.gov/20853862/

Local Citation Graph (Related-Paper Links)

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External citation index: OpenAlex citation signal • updated 2026-10-22 03:29:38

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