{"id":82,"date":"2021-09-17T18:44:24","date_gmt":"2021-09-17T18:44:24","guid":{"rendered":"https:\/\/www.istomps.org\/?page_id=82"},"modified":"2022-02-22T12:07:36","modified_gmt":"2022-02-22T12:07:36","slug":"theory-and-computations-of-isolated-magnetic-field-spectroscopy","status":"publish","type":"page","link":"https:\/\/www.istomps.org\/?page_id=82","title":{"rendered":"Theory and Computations of Isolated Magnetic Field Spectroscopy"},"content":{"rendered":"\n<p>In subproject C, we investigate magnetic dipole transitions in molecules from the theoretical perspective. We utilize numerical particle-in-cell techniques that allow the simulation of evolving electric and magnetic fields within the experimental setups of the iStOMPS sub-projects. We also develop computational protocols to predict accurate magnetic dipole-allowed absorption and emission spectra of molecules of interest. Furthermore, we plan to develop an interface between the particle-in-cell simulations and the excited-state molecular dynamics software <a href=\"https:\/\/sharc-md.org\/\">SHARC<\/a> to directly simulate the effect of the electric and magnetic fields on molecules.<\/p>\n\n\n\n<p>This subproject is located at the Institute of Theoretical Chemistry, University of Vienna, and is lead by Dr. Sebastian Mai.<\/p>\n","protected":false},"excerpt":{"rendered":"<p>In subproject C, we investigate magnetic dipole transitions in molecules from the theoretical perspective. We utilize numerical particle-in-cell techniques that allow the simulation of evolving electric and magnetic fields within the experimental setups of the iStOMPS sub-projects. We also develop computational protocols to predict accurate magnetic dipole-allowed absorption and emission spectra of molecules of interest. [&hellip;]<\/p>\n","protected":false},"author":2,"featured_media":0,"parent":0,"menu_order":0,"comment_status":"closed","ping_status":"closed","template":"","meta":{"footnotes":""},"class_list":["post-82","page","type-page","status-publish","hentry"],"_links":{"self":[{"href":"https:\/\/www.istomps.org\/index.php?rest_route=\/wp\/v2\/pages\/82","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/www.istomps.org\/index.php?rest_route=\/wp\/v2\/pages"}],"about":[{"href":"https:\/\/www.istomps.org\/index.php?rest_route=\/wp\/v2\/types\/page"}],"author":[{"embeddable":true,"href":"https:\/\/www.istomps.org\/index.php?rest_route=\/wp\/v2\/users\/2"}],"replies":[{"embeddable":true,"href":"https:\/\/www.istomps.org\/index.php?rest_route=%2Fwp%2Fv2%2Fcomments&post=82"}],"version-history":[{"count":7,"href":"https:\/\/www.istomps.org\/index.php?rest_route=\/wp\/v2\/pages\/82\/revisions"}],"predecessor-version":[{"id":187,"href":"https:\/\/www.istomps.org\/index.php?rest_route=\/wp\/v2\/pages\/82\/revisions\/187"}],"wp:attachment":[{"href":"https:\/\/www.istomps.org\/index.php?rest_route=%2Fwp%2Fv2%2Fmedia&parent=82"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}