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		<title><![CDATA[Multiwfn forum / Transition between excited states density]]></title>
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		<description><![CDATA[The most recent posts in Transition between excited states density.]]></description>
		<lastBuildDate>Thu, 13 Mar 2025 11:59:45 +0000</lastBuildDate>
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			<title><![CDATA[Transition between excited states density]]></title>
			<link>http://sobereva.com/wfnbbs/viewtopic.php?pid=4969#p4969</link>
			<description><![CDATA[<p>Dear Mr. Lu,</p><p>I am trying to calculate the transition dipole moment between the two excited states with GAUSSIAN software and to extract the transition density between excited states for later calculations (transition charges and other parameters) with Multiwfn. Would this be the right keyword setting for QM calculations in GAUSSIAN?</p><p>GAUSSIAN input sample for transition density between states 1 and 3:</p><div class="codebox"><pre><code> td=(singlets,nstates=5,root=1) cam-b3lyp/6-31g(d) density=transition=(3,1) 
 geom=connectivity iop(9/40=4) out=wfn </code></pre></div><p>Thanks in advance for the help!</p>]]></description>
			<author><![CDATA[dummy@example.com (aerospace)]]></author>
			<pubDate>Thu, 13 Mar 2025 11:59:45 +0000</pubDate>
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