dorsal/arxiv
View SchemaNumerical Simulations of Free Radical Reactions
| Authors | Eric R. Bittner |
|---|---|
| Categories | |
| ArXiv ID | physics/9708022 |
| URL | https://arxiv.org/abs/physics/9708022 |
| Journal | In "General Aspects of Free Radical Chemistry", ed. Z. Alfassi, (Wiley 1997) |
Abstract
We present an overview of the role of quantum coherence in influencing nonadiabatic processes in the condensed phase. Equations of motion for mixed quantum-classical dynamics are derived from the Consistent Histories interpretation of quantum mechanics. Application of the methods toward computing the excited state lifetime of an excess electron in water and heavy water provides a unique demonstration of our method.
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"abstract": "We present an overview of the role of quantum coherence in influencing\nnonadiabatic processes in the condensed phase. Equations of motion for mixed\nquantum-classical dynamics are derived from the Consistent Histories\ninterpretation of quantum mechanics. Application of the methods toward\ncomputing the excited state lifetime of an excess electron in water and heavy\nwater provides a unique demonstration of our method.",
"arxiv_id": "physics/9708022",
"authors": [
"Eric R. Bittner"
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"journal_ref": "In \"General Aspects of Free Radical Chemistry\", ed. Z. Alfassi,\n (Wiley 1997)",
"title": "Numerical Simulations of Free Radical Reactions",
"url": "https://arxiv.org/abs/physics/9708022"
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