Journal article
Path integral methods for reaction rates in complex systems
- Abstract:
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We shall use this introduction to the Faraday Discussion on quantum effects in complex systems to review the recent progress that has been made in using imaginary time path integral methods to calculate chemical reaction rates. As a result of this progress, it is now routinely possible to calculate accurate rate constants including quantum mechanical zero point energy and tunnelling effects for arbitrarily complex (anharmonic and multi-dimensional) systems. This is true in the adiabatic (Born...
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- Publication status:
- Published
- Peer review status:
- Peer reviewed
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Access Document
- Files:
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(Preview, Accepted manuscript, pdf, 2.0MB, Terms of use)
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- Publisher copy:
- 10.1039/c9fd00084d
Authors
Bibliographic Details
- Publisher:
- Royal Society of Chemistry
- Journal:
- Faraday Discussions More from this journal
- Volume:
- 221
- Issue:
- 2020
- Pages:
- 9-21
- Publication date:
- 2019-09-27
- Acceptance date:
- 2019-09-25
- DOI:
- EISSN:
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1364-5498
- ISSN:
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1359-6640
- Pmid:
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31657820
Item Description
- Language:
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English
- Keywords:
- Pubs id:
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pubs:1068198
- UUID:
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uuid:3618193a-e47e-45d4-afa1-b07350db55a5
- Local pid:
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pubs:1068198
- Source identifiers:
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1068198
- Deposit date:
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2019-11-12
Terms of use
- Copyright holder:
- The Royal Soceity of Chemistry
- Copyright date:
- 2019
- Rights statement:
- © The Royal Society of Chemistry 2019.
- Notes:
- This is the accepted manuscript version of the article. The final version is available from Royal Society of Chemistry at: https://doi.org/10.1039/C9FD00084D
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