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		<title><![CDATA[Multiwfn forum / Polarizability of a molecule in the excited state]]></title>
		<link>http://sobereva.com/wfnbbs/viewtopic.php?id=1817</link>
		<description><![CDATA[The most recent posts in Polarizability of a molecule in the excited state.]]></description>
		<lastBuildDate>Thu, 23 Apr 2026 02:15:11 +0000</lastBuildDate>
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			<title><![CDATA[Re: Polarizability of a molecule in the excited state]]></title>
			<link>http://sobereva.com/wfnbbs/viewtopic.php?pid=5659#p5659</link>
			<description><![CDATA[<p>Density=(Check,Transition=1) is incorrect. This keyword requests to generate transition density, which is not needed in the current situation.</p><p>Use: CAM-B3LYP/aug-cc-pVTZ TD(root=x) polar, where x is the index of the excited state of interest.</p>]]></description>
			<author><![CDATA[dummy@example.com (sobereva)]]></author>
			<pubDate>Thu, 23 Apr 2026 02:15:11 +0000</pubDate>
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			<title><![CDATA[Polarizability of a molecule in the excited state]]></title>
			<link>http://sobereva.com/wfnbbs/viewtopic.php?pid=5656#p5656</link>
			<description><![CDATA[<p>Hi,</p><p>I&#039;m trying to calculate the change in polarizability between the first excited state and ground state of an organic molecule.</p><p>My first thought was to calculate the polarizability of the molecule in the GS and S₁ using the polar keyword in Gaussian, and then compute the difference. However, Gaussian doesn&#039;t seem to support polar calculations for excited states with Density=(Check,Transition=1).</p><p>My question: Can I use Multiwfn to calculate the polarizability directly from the excited state density obtained from Gaussian TD-DFT? If so, what&#039;s the recommended workflow?</p><p>Thank you!<br />Dan</p>]]></description>
			<author><![CDATA[dummy@example.com (Danmed)]]></author>
			<pubDate>Wed, 22 Apr 2026 10:50:40 +0000</pubDate>
			<guid>http://sobereva.com/wfnbbs/viewtopic.php?pid=5656#p5656</guid>
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