Potential Energy Surface from Spectroscopic Data in the Photodissociation of Polyatomic Molecules

Potential Energy Surface from Spectroscopic Data in the Photodissociation of Polyatomic Molecules

The time-dependent tracking inversion method is studied to extract the potential energy surface of the electronic excited state in the photodissociation of triatomic molecules. Based on the relay of the regularized inversion procedure and time-dependent wave packet propagation, the algorithm extract...

Ausführliche Beschreibung

Gespeichert in:
Bibliographische Detailangaben
Veröffentlicht in:Bulletin of the Korean Chemical Society 2001, Vol.22 (5), p.455-462
Hauptverfasser: 김화중, 김영식, Kim, Hwa Jung, Kim, Yeong Sik
Format: Artikel
Sprache:kor
Online-Zugang:Volltext
Tags: Tag hinzufügen
Keine Tags, Fügen Sie den ersten Tag hinzu!
container_end_page 462
container_issue 5
container_start_page 455
container_title Bulletin of the Korean Chemical Society
container_volume 22
creator 김화중
김영식
Kim, Hwa Jung
Kim, Yeong Sik
description The time-dependent tracking inversion method is studied to extract the potential energy surface of the electronic excited state in the photodissociation of triatomic molecules. Based on the relay of the regularized inversion procedure and time-dependent wave packet propagation, the algorithm extracts the underlying potential energy surface piece by piece by tracking the time-dependent data, which can be synthesized from Raman excitation profiles. We have demonstrated the algorithm to extract the potential energy surface of electronic excited state for NO2 molecule where the wave packet split on a saddle-shaped surface. Finally, we describe the merits of the time-dependent tracking inversion method compared with the time-independent inversion method and discussed several extensions of the algorithm.
format Article
fullrecord <record><control><sourceid>kisti</sourceid><recordid>TN_cdi_kisti_ndsl_JAKO200113464478502</recordid><sourceformat>XML</sourceformat><sourcesystem>PC</sourcesystem><sourcerecordid>JAKO200113464478502</sourcerecordid><originalsourceid>FETCH-kisti_ndsl_JAKO2001134644785023</originalsourceid><addsrcrecordid>eNqNyrFOwzAQAFCrAomI9h9uYYzk2E5Sj6gUIRBqpHavjOu0J1xflbsO_XsY-ACmt7yZqhpjfN165-9UpU1ra-M796AWzPilW2v7rre-UmEgSUUwZFiXNB1vsL1OY4gJxonOsL2kKBNxpAtGeAkSAAvIKcFwIqEDMlPEIEgFaISB8i0InX_vJ-UUrznxXN2PIXNa_Pmonl7Xu9Vb_Y0suC8Hzvv354-N0bpprOuc65etNva_7wcOm0X9</addsrcrecordid><sourcetype>Open Access Repository</sourcetype><iscdi>true</iscdi><recordtype>article</recordtype></control><display><type>article</type><title>Potential Energy Surface from Spectroscopic Data in the Photodissociation of Polyatomic Molecules</title><source>Elektronische Zeitschriftenbibliothek - Frei zugängliche E-Journals</source><source>Free Full-Text Journals in Chemistry</source><creator>김화중 ; 김영식 ; Kim, Hwa Jung ; Kim, Yeong Sik</creator><creatorcontrib>김화중 ; 김영식 ; Kim, Hwa Jung ; Kim, Yeong Sik</creatorcontrib><description>The time-dependent tracking inversion method is studied to extract the potential energy surface of the electronic excited state in the photodissociation of triatomic molecules. Based on the relay of the regularized inversion procedure and time-dependent wave packet propagation, the algorithm extracts the underlying potential energy surface piece by piece by tracking the time-dependent data, which can be synthesized from Raman excitation profiles. We have demonstrated the algorithm to extract the potential energy surface of electronic excited state for NO2 molecule where the wave packet split on a saddle-shaped surface. Finally, we describe the merits of the time-dependent tracking inversion method compared with the time-independent inversion method and discussed several extensions of the algorithm.</description><identifier>ISSN: 0253-2964</identifier><identifier>EISSN: 1229-5949</identifier><language>kor</language><ispartof>Bulletin of the Korean Chemical Society, 2001, Vol.22 (5), p.455-462</ispartof><lds50>peer_reviewed</lds50><oa>free_for_read</oa><woscitedreferencessubscribed>false</woscitedreferencessubscribed></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><link.rule.ids>230,314,776,780,881,4010</link.rule.ids></links><search><creatorcontrib>김화중</creatorcontrib><creatorcontrib>김영식</creatorcontrib><creatorcontrib>Kim, Hwa Jung</creatorcontrib><creatorcontrib>Kim, Yeong Sik</creatorcontrib><title>Potential Energy Surface from Spectroscopic Data in the Photodissociation of Polyatomic Molecules</title><title>Bulletin of the Korean Chemical Society</title><addtitle>Bulletin of the Korean chemical society</addtitle><description>The time-dependent tracking inversion method is studied to extract the potential energy surface of the electronic excited state in the photodissociation of triatomic molecules. Based on the relay of the regularized inversion procedure and time-dependent wave packet propagation, the algorithm extracts the underlying potential energy surface piece by piece by tracking the time-dependent data, which can be synthesized from Raman excitation profiles. We have demonstrated the algorithm to extract the potential energy surface of electronic excited state for NO2 molecule where the wave packet split on a saddle-shaped surface. Finally, we describe the merits of the time-dependent tracking inversion method compared with the time-independent inversion method and discussed several extensions of the algorithm.</description><issn>0253-2964</issn><issn>1229-5949</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2001</creationdate><recordtype>article</recordtype><sourceid>JDI</sourceid><recordid>eNqNyrFOwzAQAFCrAomI9h9uYYzk2E5Sj6gUIRBqpHavjOu0J1xflbsO_XsY-ACmt7yZqhpjfN165-9UpU1ra-M796AWzPilW2v7rre-UmEgSUUwZFiXNB1vsL1OY4gJxonOsL2kKBNxpAtGeAkSAAvIKcFwIqEDMlPEIEgFaISB8i0InX_vJ-UUrznxXN2PIXNa_Pmonl7Xu9Vb_Y0suC8Hzvv354-N0bpprOuc65etNva_7wcOm0X9</recordid><startdate>2001</startdate><enddate>2001</enddate><creator>김화중</creator><creator>김영식</creator><creator>Kim, Hwa Jung</creator><creator>Kim, Yeong Sik</creator><scope>JDI</scope></search><sort><creationdate>2001</creationdate><title>Potential Energy Surface from Spectroscopic Data in the Photodissociation of Polyatomic Molecules</title><author>김화중 ; 김영식 ; Kim, Hwa Jung ; Kim, Yeong Sik</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-kisti_ndsl_JAKO2001134644785023</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>kor</language><creationdate>2001</creationdate><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>김화중</creatorcontrib><creatorcontrib>김영식</creatorcontrib><creatorcontrib>Kim, Hwa Jung</creatorcontrib><creatorcontrib>Kim, Yeong Sik</creatorcontrib><collection>KoreaScience</collection><jtitle>Bulletin of the Korean Chemical Society</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>김화중</au><au>김영식</au><au>Kim, Hwa Jung</au><au>Kim, Yeong Sik</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Potential Energy Surface from Spectroscopic Data in the Photodissociation of Polyatomic Molecules</atitle><jtitle>Bulletin of the Korean Chemical Society</jtitle><addtitle>Bulletin of the Korean chemical society</addtitle><date>2001</date><risdate>2001</risdate><volume>22</volume><issue>5</issue><spage>455</spage><epage>462</epage><pages>455-462</pages><issn>0253-2964</issn><eissn>1229-5949</eissn><abstract>The time-dependent tracking inversion method is studied to extract the potential energy surface of the electronic excited state in the photodissociation of triatomic molecules. Based on the relay of the regularized inversion procedure and time-dependent wave packet propagation, the algorithm extracts the underlying potential energy surface piece by piece by tracking the time-dependent data, which can be synthesized from Raman excitation profiles. We have demonstrated the algorithm to extract the potential energy surface of electronic excited state for NO2 molecule where the wave packet split on a saddle-shaped surface. Finally, we describe the merits of the time-dependent tracking inversion method compared with the time-independent inversion method and discussed several extensions of the algorithm.</abstract><oa>free_for_read</oa></addata></record>
fulltext fulltext
identifier ISSN: 0253-2964
ispartof Bulletin of the Korean Chemical Society, 2001, Vol.22 (5), p.455-462
issn 0253-2964
1229-5949
language kor
recordid cdi_kisti_ndsl_JAKO200113464478502
source Elektronische Zeitschriftenbibliothek - Frei zugängliche E-Journals; Free Full-Text Journals in Chemistry
title Potential Energy Surface from Spectroscopic Data in the Photodissociation of Polyatomic Molecules
url https://sfx.bib-bvb.de/sfx_tum?ctx_ver=Z39.88-2004&ctx_enc=info:ofi/enc:UTF-8&ctx_tim=2025-01-30T12%3A08%3A26IST&url_ver=Z39.88-2004&url_ctx_fmt=infofi/fmt:kev:mtx:ctx&rfr_id=info:sid/primo.exlibrisgroup.com:primo3-Article-kisti&rft_val_fmt=info:ofi/fmt:kev:mtx:journal&rft.genre=article&rft.atitle=Potential%20Energy%20Surface%20from%20Spectroscopic%20Data%20in%20the%20Photodissociation%20of%20Polyatomic%20Molecules&rft.jtitle=Bulletin%20of%20the%20Korean%20Chemical%20Society&rft.au=%EA%B9%80%ED%99%94%EC%A4%91&rft.date=2001&rft.volume=22&rft.issue=5&rft.spage=455&rft.epage=462&rft.pages=455-462&rft.issn=0253-2964&rft.eissn=1229-5949&rft_id=info:doi/&rft_dat=%3Ckisti%3EJAKO200113464478502%3C/kisti%3E%3Curl%3E%3C/url%3E&disable_directlink=true&sfx.directlink=off&sfx.report_link=0&rft_id=info:oai/&rft_id=info:pmid/&rfr_iscdi=true