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The ionization potential is calculated to be IPe = 48 866 cm−1, and the ground state is confirmed to be a closed-shell singlet and thus strongly sensitive to the T,P-violating nuclear Schiff moment of the Ac nucleus. Radiative properties and transition dipole moments from the ground state are identified for several excited states, achieving a mean uncertainty estimate of ∼450 cm−1 for the excitation energies. For higher-lying states that are not directly accessible from the ground state, possible two-step excitation pathways are proposed. The calculated branching ratios and Franck–Condon factors are used to investigate the suitability of AcF for direct laser cooling. The lifetime of the metastable (1)3Δ1 state, which can be used in experimental searches of the electric dipole moment of the electron, is estimated to be of order 1 ms. 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The ionization potential is calculated to be IPe = 48 866 cm−1, and the ground state is confirmed to be a closed-shell singlet and thus strongly sensitive to the T,P-violating nuclear Schiff moment of the Ac nucleus. Radiative properties and transition dipole moments from the ground state are identified for several excited states, achieving a mean uncertainty estimate of ∼450 cm−1 for the excitation energies. For higher-lying states that are not directly accessible from the ground state, possible two-step excitation pathways are proposed. The calculated branching ratios and Franck–Condon factors are used to investigate the suitability of AcF for direct laser cooling. 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var affiliation = $(this).data('affiliation') + '</br>'; var contribution = $(this).data('contribution') + '</br>'; $.magnificPopup.open({ items: { src: '<div id="ovelary-mathjax" class="overlay-white oc-content overlay-white-500">' + author + affiliation + contribution + '</div>', type: 'inline' }, callbacks: { open: function() { var div = document.getElementById("overlay-mathjax") MathJax.Hub.Queue(["Typeset", MathJax.Hub, div]); }, } }) }) }); </script> <tr><td class="formatRecordLabel"> Title </td><td style="padding-left:5px;"><b>Ab initio study of electronic states and radiative properties of the AcF molecule</b></td></tr> <tr><td class="formatRecordLabel"><span style="white-space:nowrap;"> Author(s) </span> </td><td style="padding-left:5px;"><a href="https://cds.cern.ch/search?f=author&p=Skripnikov%2C%20Leonid%20V&ln=zh_TW">Skripnikov, Leonid V</a> (St. Petersburg, INP ; St. Petersburg State U.) ; <a href="https://cds.cern.ch/search?f=author&p=Oleynichenko%2C%20Alexander%20V&ln=zh_TW">Oleynichenko, Alexander V</a> (St. Petersburg, INP) ; <a href="https://cds.cern.ch/search?f=author&p=Zaitsevskii%2C%20Andr%C3%A9i&ln=zh_TW">Zaitsevskii, Andréi</a> (St. Petersburg, INP ; Moscow State U.) ; <a href="https://cds.cern.ch/search?f=author&p=Mosyagin%2C%20Nikolai%20S&ln=zh_TW">Mosyagin, Nikolai S</a> (St. Petersburg, INP) ; <a href="https://cds.cern.ch/search?f=author&p=Athanasakis-Kaklamanakis%2C%20Michail&ln=zh_TW">Athanasakis-Kaklamanakis, Michail</a> (CERN ; Leuven U.) ; <a href="https://cds.cern.ch/search?f=author&p=Au%2C%20Mia&ln=zh_TW">Au, Mia</a> (CERN) ; <a href="https://cds.cern.ch/search?f=author&p=Neyens%2C%20Gerda&ln=zh_TW">Neyens, Gerda</a> (Leuven U.)</td></tr> <tr><td class="formatRecordLabel"> Publication </td><td style="padding-left:5px;">2023</td></tr> <tr><td class="formatRecordLabel"> Number of pages </td><td style="padding-left:5px;">16</td></tr> <tr><td class="formatRecordLabel"> In: </td><td style="padding-left:5px;"><a href="http://dx.doi.org/10.1063/5.0159888"><i>J. Chem. Phys.</i> 159 (2023) 124301</a> </a></td></tr> <tr><td class="formatRecordLabel"> DOI </td><td style="padding-left:5px;"><a href="http://dx.doi.org/10.1063/5.0159888" title="DOI" target="_blank">10.1063/5.0159888</a> <tr><td class="formatRecordLabel"> Subject category </td><td style="padding-left:5px;">Physics in General</td></tr> <tr><td class="formatRecordLabel"> Abstract </td><td style="padding-left:5px;">Relativistic coupled-cluster calculations of the ionization potential, dissociation energy, and excited electronic states under 35 000 cm−1 are presented for the actinium monofluoride (AcF) molecule. The ionization potential is calculated to be IPe = 48 866 cm−1, and the ground state is confirmed to be a closed-shell singlet and thus strongly sensitive to the T,P-violating nuclear Schiff moment of the Ac nucleus. Radiative properties and transition dipole moments from the ground state are identified for several excited states, achieving a mean uncertainty estimate of ∼450 cm−1 for the excitation energies. For higher-lying states that are not directly accessible from the ground state, possible two-step excitation pathways are proposed. The calculated branching ratios and Franck–Condon factors are used to investigate the suitability of AcF for direct laser cooling. The lifetime of the metastable (1)3Δ1 state, which can be used in experimental searches of the electric dipole moment of the electron, is estimated to be of order 1 ms.</td></tr> <tr><td class="formatRecordLabel"> Copyright/License </td><td style="padding-left:5px;">exclusive license by AIP Publishing</td></tr> </table> <br/>Corresponding record in: <a href="http://inspirehep.net/record/2712886">Inspire</a> <small> </small> <br/> <br/><br/><div align="right"><div style="padding-bottom:2px;padding-top:30px;"><span class="moreinfo" style="margin-right:10px;"> <a href="" class="moreinfo">Back to search</a> </span></div></div> <div class="bottom-left-folded"><div class="recordlastmodifiedbox" style="position:relative;margin-left:1px"> 記錄創建於2023-12-01，最後更新在2023-12-01</div></div> <div class="bottom-right-folded" style="text-align:right;padding-bottom:2px;"> <span class="moreinfo" style="margin-right:10px;"><a href="/search?ln=zh_TW&p=recid%3A2882891&rm=wrd" class="moreinfo">相似記錄</a></span></div> </div> </div> </div> <br/> <br /> <div class="detailedrecordminipanel"> <div class="top-left"></div><div class="top-right"></div> <div class="inside"> <div id="detailedrecordminipanelfile" style="width:33%;float:left;text-align:center;margin-top:0"> <br/> </div> <div id="detailedrecordminipanelreview" style="width:30%;float:left;text-align:center"> </div> <div id="detailedrecordminipanelactions" style="width:36%;float:right;text-align:right;"> <ul class="detailedrecordactions"> <li><a href="/yourbaskets/add?ln=zh_TW&recid=2882891">Add to personal basket</a></li> <li>Export as <a style="text-decoration:underline;font-weight:normal" href="/record/2882891/export/hx?ln=zh_TW">BibTeX</a>, <a style="text-decoration:underline;font-weight:normal" href="/record/2882891/export/hm?ln=zh_TW">MARC</a>, <a style="text-decoration:underline;font-weight:normal" href="/record/2882891/export/xm?ln=zh_TW">MARCXML</a>, <a style="text-decoration:underline;font-weight:normal" href="/record/2882891/export/xd?ln=zh_TW">DC</a>, <a style="text-decoration:underline;font-weight:normal" href="/record/2882891/export/xe?ln=zh_TW">EndNote</a>,  <a style="text-decoration:underline;font-weight:normal" href="/record/2882891/export/xn?ln=zh_TW">NLM</a>, <a style="text-decoration:underline;font-weight:normal" href="/record/2882891/export/xw?ln=zh_TW">RefWorks</a> </li> </ul> <div style='padding-left: 13px;'>  <div id="bookmark"></div> <div id="bookmark_sciencewise"></div> <style type="text/css"> #bookmark_sciencewise, #bookmark {float: left;} #bookmark_sciencewise li {padding: 2px; width: 25px;} #bookmark_sciencewise ul, #bookmark ul {list-style-image: none;} </style> <script type="text/javascript" src="/js/jquery.bookmark.min.js"></script> <style type="text/css">@import "/css/jquery.bookmark.css";</style> <script type="text/javascript">// <![CDATA[ $.bookmark.addSite('sciencewise', 'ScienceWise.info', 'https://cds.cern.ch/img/sciencewise.png', 'en', 'bookmark', 'http://sciencewise.info/bookmarks/cds:2882891/add'); $('#bookmark_sciencewise').bookmark({sites: ['sciencewise']}); $('#bookmark').bookmark({ sites: ['facebook', 'twitter', 'linkedin', 'google_plusone'], icons: '/img/bookmarks.png', url: 'https://cds.cern.ch/record/2882891', addEmail: true, title: "Ab initio study of electronic states and radiative properties of the AcF molecule", description: "Relativistic coupled-cluster calculations of the ionization potential, dissociation energy, and excited electronic states under 35\u2009000 cm\u22121 are presented for the actinium monofluoride (AcF) molecule. The ionization potential is calculated to be IPe = 48\u2009866 cm\u22121, and the ground state is confirmed to be a closed-shell singlet and thus strongly sensitive to the T,P-violating nuclear Schiff moment of the Ac nucleus. Radiative properties and transition dipole moments from the ground state are identified for several excited states, achieving a mean uncertainty estimate of \u223c450 cm\u22121 for the excitation energies. For higher-lying states that are not directly accessible from the ground state, possible two-step excitation pathways are proposed. The calculated branching ratios and Franck\u2013Condon factors are used to investigate the suitability of AcF for direct laser cooling. The lifetime of the metastable (1)3\u03941 state, which can be used in experimental searches of the electric dipole moment of the electron, is estimated to be of order 1\u00a0ms." }); // ]]> </script>  </div> </div> <div style="clear:both;margin-bottom: 0;"></div> </div> <div class="bottom-left"></div><div class="bottom-right"></div> </div> </div></div> <footer id="footer" class="pagefooter clearfix">  <div class="pagefooterstripeleft"> CERN Document Server :: <a class="footer" href="https://cds.cern.ch/?ln=zh_TW">搜尋</a> :: <a class="footer" href="https://cds.cern.ch/submit?ln=zh_TW">提交</a> :: <a class="footer" href="https://cds.cern.ch/youraccount/display?ln=zh_TW">個人化</a> :: <a class="footer" href="https://cds.cern.ch/help/?ln=zh_TW">幫助</a> :: <a class="footer" href="https://cern.service-now.com/service-portal?id=privacy_policy&se=CDS-Service" target="_blank">Privacy Notice</a> :: <a class="footer" href="https://repository.cern/content-policy" target="_blank">Content Policy</a> :: <a class="footer" href="https://repository.cern/terms" target="_blank">Terms and Conditions</a> <br /> 伺服器系統： <a class="footer" href="http://invenio-software.org/">Invenio</a> <br /> 管理者： <a class="footer" href="https://cern.service-now.com/service-portal?id=service_element&name=CDS-Service">CDS Service</a> - Need help? 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