Show simple item record

dc.contributor.author
Mannouch, Jonathan R.
dc.contributor.author
Richardson, Jeremy
dc.date.accessioned
2022-01-20T13:37:14Z
dc.date.available
2022-01-20T10:57:26Z
dc.date.available
2022-01-20T13:37:14Z
dc.date.issued
2022
dc.identifier.issn
0021-9606
dc.identifier.issn
1089-7690
dc.identifier.other
10.1063/5.0077744
en_US
dc.identifier.uri
http://hdl.handle.net/20.500.11850/527232
dc.identifier.doi
10.3929/ethz-b-000527232
dc.description.abstract
We present a partially linearized method based on spin-mapping for computing both linear and nonlinear optical spectra. As observables are obtained from ensembles of classical trajectories, the approach can be applied to the large condensed-phase systems that undergo photosynthetic light-harvesting processes. In particular, the recently derived spin partially linearized density matrix method has been shown to exhibit superior accuracy in computing population dynamics compared to other related classical-trajectory methods. Such a method should also be ideally suited to describing the quantum coherences generated by interaction with light. We demonstrate that this is, indeed, the case by calculating the nonlinear optical response functions relevant for the pump–probe and 2D photon-echo spectra for a Frenkel biexciton model and the Fenna–Matthews–Olsen light-harvesting complex. One especially desirable feature of our approach is that the full spectrum can be decomposed into its constituent components associated with the various Liouville-space pathways, offering a greater insight beyond what can be directly obtained from experiments.
en_US
dc.format
application/pdf
en_US
dc.language.iso
en
en_US
dc.publisher
American Institute of Physics
en_US
dc.rights.uri
http://creativecommons.org/licenses/by/4.0/
dc.title
A partially linearized spin-mapping approach for simulating nonlinear optical spectra
en_US
dc.type
Journal Article
dc.rights.license
Creative Commons Attribution 4.0 International
dc.date.published
2022-01-12
ethz.journal.title
The Journal of Chemical Physics
ethz.journal.volume
156
en_US
ethz.journal.issue
2
en_US
ethz.journal.abbreviated
J. Chem. Phys.
ethz.pages.start
024108
en_US
ethz.size
17 p.
en_US
ethz.version.deposit
publishedVersion
en_US
ethz.identifier.wos
ethz.identifier.scopus
ethz.publication.place
College Park, MD
en_US
ethz.publication.status
published
en_US
ethz.leitzahl
ETH Zürich::00002 - ETH Zürich::00012 - Lehre und Forschung::00007 - Departemente::02020 - Dep. Chemie und Angewandte Biowiss. / Dep. of Chemistry and Applied Biosc.::02543 - Inst. f. Molekulare Physikalische Wiss. / Institute of Molecular Physical Science::09602 - Richardson, Jeremy / Richardson, Jeremy
en_US
ethz.leitzahl.certified
ETH Zürich::00002 - ETH Zürich::00012 - Lehre und Forschung::00007 - Departemente::02020 - Dep. Chemie und Angewandte Biowiss. / Dep. of Chemistry and Applied Biosc.::02543 - Inst. f. Molekulare Physikalische Wiss. / Institute of Molecular Physical Science::09602 - Richardson, Jeremy / Richardson, Jeremy
en_US
ethz.date.deposited
2022-01-20T10:57:32Z
ethz.source
FORM
ethz.eth
yes
en_US
ethz.availability
Open access
en_US
ethz.rosetta.installDate
2022-01-20T13:37:22Z
ethz.rosetta.lastUpdated
2024-02-02T16:03:07Z
ethz.rosetta.versionExported
true
ethz.COinS
ctx_ver=Z39.88-2004&rft_val_fmt=info:ofi/fmt:kev:mtx:journal&rft.atitle=A%20partially%20linearized%20spin-mapping%20approach%20for%20simulating%20nonlinear%20optical%20spectra&rft.jtitle=The%20Journal%20of%20Chemical%20Physics&rft.date=2022&rft.volume=156&rft.issue=2&rft.spage=024108&rft.issn=0021-9606&1089-7690&rft.au=Mannouch,%20Jonathan%20R.&Richardson,%20Jeremy&rft.genre=article&rft_id=info:doi/10.1063/5.0077744&
 Search print copy at ETH Library

Files in this item

Thumbnail

Publication type

Show simple item record