Time-Resolved Photoelectron Spectra of CS sub(2): Dynamics at Conical Intersections
We report results of the application of a fully ab initio approach for simulating time-resolved molecular-frame photoelectron angular distributions around conical intersections in CS sub(2). The technique employs wave packet densities obtained with the multiple spawning method in conjunction with ge...
Gespeichert in:
| Veröffentlicht in: | Physical review letters 2014-03, Vol.112 (11) |
|---|---|
| Hauptverfasser: | , , , |
| Format: | Artikel |
| Sprache: | eng |
| Schlagworte: | |
| Online-Zugang: | Volltext |
| Tags: |
Tag hinzufügen
Keine Tags, Fügen Sie den ersten Tag hinzu!
|
| container_end_page | |
|---|---|
| container_issue | 11 |
| container_start_page | |
| container_title | Physical review letters |
| container_volume | 112 |
| creator | Wang, Kwanghsi McKoy, Vincent Hockett, Paul Schuurman, Michael S |
| description | We report results of the application of a fully ab initio approach for simulating time-resolved molecular-frame photoelectron angular distributions around conical intersections in CS sub(2). The technique employs wave packet densities obtained with the multiple spawning method in conjunction with geometry- and energy-dependent photoionization matrix elements. The robust agreement of these results with measured molecular-frame photoelectron angular distributions for CS sub(2) demonstrates that this technique can successfully elucidate, and disentangle, the underlying nuclear and photoionization dynamics around conical intersections in polyatomic molecules. |
| format | Article |
| fullrecord | <record><control><sourceid>proquest</sourceid><recordid>TN_cdi_proquest_miscellaneous_1770337283</recordid><sourceformat>XML</sourceformat><sourcesystem>PC</sourcesystem><sourcerecordid>1770337283</sourcerecordid><originalsourceid>FETCH-proquest_miscellaneous_17703372833</originalsourceid><addsrcrecordid>eNqVysGKwjAQgOEgLlh3fYc56qEwaWSje62K3sR6l2wd2UiacTup4Nur4At4-v_D11OZRjvPrdbTvsoQjc7niHaghiJnRNTF9yxT1d43lO9IOFzpCNs_TkyB6tRyhOryHAd8grIC6X7HxeQHFrfoGl8LuAQlR1-7AJuYqJWH9hzlS32cXBAavfqpxqvlvlznl5b_O5J0aLzUFIKLxJ0ctLVojC1mxrxB73ihRG0</addsrcrecordid><sourcetype>Aggregation Database</sourcetype><iscdi>true</iscdi><recordtype>article</recordtype><pqid>1770337283</pqid></control><display><type>article</type><title>Time-Resolved Photoelectron Spectra of CS sub(2): Dynamics at Conical Intersections</title><source>American Physical Society Journals</source><creator>Wang, Kwanghsi ; McKoy, Vincent ; Hockett, Paul ; Schuurman, Michael S</creator><creatorcontrib>Wang, Kwanghsi ; McKoy, Vincent ; Hockett, Paul ; Schuurman, Michael S</creatorcontrib><description>We report results of the application of a fully ab initio approach for simulating time-resolved molecular-frame photoelectron angular distributions around conical intersections in CS sub(2). The technique employs wave packet densities obtained with the multiple spawning method in conjunction with geometry- and energy-dependent photoionization matrix elements. The robust agreement of these results with measured molecular-frame photoelectron angular distributions for CS sub(2) demonstrates that this technique can successfully elucidate, and disentangle, the underlying nuclear and photoionization dynamics around conical intersections in polyatomic molecules.</description><identifier>ISSN: 0031-9007</identifier><identifier>EISSN: 1079-7114</identifier><language>eng</language><subject>Angular distribution ; Density ; Dynamics ; Intersections ; Photoelectrons ; Photoionization ; Simulation ; Spectra</subject><ispartof>Physical review letters, 2014-03, Vol.112 (11)</ispartof><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><link.rule.ids>314,780,784</link.rule.ids></links><search><creatorcontrib>Wang, Kwanghsi</creatorcontrib><creatorcontrib>McKoy, Vincent</creatorcontrib><creatorcontrib>Hockett, Paul</creatorcontrib><creatorcontrib>Schuurman, Michael S</creatorcontrib><title>Time-Resolved Photoelectron Spectra of CS sub(2): Dynamics at Conical Intersections</title><title>Physical review letters</title><description>We report results of the application of a fully ab initio approach for simulating time-resolved molecular-frame photoelectron angular distributions around conical intersections in CS sub(2). The technique employs wave packet densities obtained with the multiple spawning method in conjunction with geometry- and energy-dependent photoionization matrix elements. The robust agreement of these results with measured molecular-frame photoelectron angular distributions for CS sub(2) demonstrates that this technique can successfully elucidate, and disentangle, the underlying nuclear and photoionization dynamics around conical intersections in polyatomic molecules.</description><subject>Angular distribution</subject><subject>Density</subject><subject>Dynamics</subject><subject>Intersections</subject><subject>Photoelectrons</subject><subject>Photoionization</subject><subject>Simulation</subject><subject>Spectra</subject><issn>0031-9007</issn><issn>1079-7114</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2014</creationdate><recordtype>article</recordtype><recordid>eNqVysGKwjAQgOEgLlh3fYc56qEwaWSje62K3sR6l2wd2UiacTup4Nur4At4-v_D11OZRjvPrdbTvsoQjc7niHaghiJnRNTF9yxT1d43lO9IOFzpCNs_TkyB6tRyhOryHAd8grIC6X7HxeQHFrfoGl8LuAQlR1-7AJuYqJWH9hzlS32cXBAavfqpxqvlvlznl5b_O5J0aLzUFIKLxJ0ctLVojC1mxrxB73ihRG0</recordid><startdate>20140321</startdate><enddate>20140321</enddate><creator>Wang, Kwanghsi</creator><creator>McKoy, Vincent</creator><creator>Hockett, Paul</creator><creator>Schuurman, Michael S</creator><scope>7U5</scope><scope>8FD</scope><scope>H8D</scope><scope>L7M</scope></search><sort><creationdate>20140321</creationdate><title>Time-Resolved Photoelectron Spectra of CS sub(2): Dynamics at Conical Intersections</title><author>Wang, Kwanghsi ; McKoy, Vincent ; Hockett, Paul ; Schuurman, Michael S</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-proquest_miscellaneous_17703372833</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2014</creationdate><topic>Angular distribution</topic><topic>Density</topic><topic>Dynamics</topic><topic>Intersections</topic><topic>Photoelectrons</topic><topic>Photoionization</topic><topic>Simulation</topic><topic>Spectra</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Wang, Kwanghsi</creatorcontrib><creatorcontrib>McKoy, Vincent</creatorcontrib><creatorcontrib>Hockett, Paul</creatorcontrib><creatorcontrib>Schuurman, Michael S</creatorcontrib><collection>Solid State and Superconductivity Abstracts</collection><collection>Technology Research Database</collection><collection>Aerospace Database</collection><collection>Advanced Technologies Database with Aerospace</collection><jtitle>Physical review letters</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Wang, Kwanghsi</au><au>McKoy, Vincent</au><au>Hockett, Paul</au><au>Schuurman, Michael S</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Time-Resolved Photoelectron Spectra of CS sub(2): Dynamics at Conical Intersections</atitle><jtitle>Physical review letters</jtitle><date>2014-03-21</date><risdate>2014</risdate><volume>112</volume><issue>11</issue><issn>0031-9007</issn><eissn>1079-7114</eissn><abstract>We report results of the application of a fully ab initio approach for simulating time-resolved molecular-frame photoelectron angular distributions around conical intersections in CS sub(2). The technique employs wave packet densities obtained with the multiple spawning method in conjunction with geometry- and energy-dependent photoionization matrix elements. The robust agreement of these results with measured molecular-frame photoelectron angular distributions for CS sub(2) demonstrates that this technique can successfully elucidate, and disentangle, the underlying nuclear and photoionization dynamics around conical intersections in polyatomic molecules.</abstract></addata></record> |
| fulltext | fulltext |
| identifier | ISSN: 0031-9007 |
| ispartof | Physical review letters, 2014-03, Vol.112 (11) |
| issn | 0031-9007 1079-7114 |
| language | eng |
| recordid | cdi_proquest_miscellaneous_1770337283 |
| source | American Physical Society Journals |
| subjects | Angular distribution Density Dynamics Intersections Photoelectrons Photoionization Simulation Spectra |
| title | Time-Resolved Photoelectron Spectra of CS sub(2): Dynamics at Conical Intersections |
| url | https://sfx.bib-bvb.de/sfx_tum?ctx_ver=Z39.88-2004&ctx_enc=info:ofi/enc:UTF-8&ctx_tim=2025-01-06T08%3A59%3A03IST&url_ver=Z39.88-2004&url_ctx_fmt=infofi/fmt:kev:mtx:ctx&rfr_id=info:sid/primo.exlibrisgroup.com:primo3-Article-proquest&rft_val_fmt=info:ofi/fmt:kev:mtx:journal&rft.genre=article&rft.atitle=Time-Resolved%20Photoelectron%20Spectra%20of%20CS%20sub(2):%20Dynamics%20at%20Conical%20Intersections&rft.jtitle=Physical%20review%20letters&rft.au=Wang,%20Kwanghsi&rft.date=2014-03-21&rft.volume=112&rft.issue=11&rft.issn=0031-9007&rft.eissn=1079-7114&rft_id=info:doi/&rft_dat=%3Cproquest%3E1770337283%3C/proquest%3E%3Curl%3E%3C/url%3E&disable_directlink=true&sfx.directlink=off&sfx.report_link=0&rft_id=info:oai/&rft_pqid=1770337283&rft_id=info:pmid/&rfr_iscdi=true |