<?xml version="1.0" encoding="utf-8"?>
<rss version="2.0" xmlns:atom="http://www.w3.org/2005/Atom">
	<channel>
		<atom:link href="http://sobereva.com/wfnbbs/extern.php?action=feed&amp;tid=797&amp;type=rss" rel="self" type="application/rss+xml" />
		<title><![CDATA[Multiwfn forum / SCS-MP2 versus MP2]]></title>
		<link>http://sobereva.com/wfnbbs/viewtopic.php?id=797</link>
		<description><![CDATA[The most recent posts in SCS-MP2 versus MP2.]]></description>
		<lastBuildDate>Mon, 13 Mar 2023 16:45:46 +0000</lastBuildDate>
		<generator>FluxBB</generator>
		<item>
			<title><![CDATA[Re: SCS-MP2 versus MP2]]></title>
			<link>http://sobereva.com/wfnbbs/viewtopic.php?pid=3039#p3039</link>
			<description><![CDATA[<p>Dear Tian,</p><p>Many many thanks for your kind attention to make me guide with your highly valuable comments.</p><p>Sincerely yours,<br />Saeed</p>]]></description>
			<author><![CDATA[dummy@example.com (saeed_E)]]></author>
			<pubDate>Mon, 13 Mar 2023 16:45:46 +0000</pubDate>
			<guid>http://sobereva.com/wfnbbs/viewtopic.php?pid=3039#p3039</guid>
		</item>
		<item>
			<title><![CDATA[Re: SCS-MP2 versus MP2]]></title>
			<link>http://sobereva.com/wfnbbs/viewtopic.php?pid=3038#p3038</link>
			<description><![CDATA[<p>Dear Saeed,</p><p>SCS-MP2 has much better performance in calculating reaction energies, see its original paper. However, SCS-MP2 is evidently poorer than popular double-hybrid functionals, therefore currently SCS-MP2 is not useful.</p><p>SCS-MP2 has worse accuracy in studying weak interactions. In addition, it was found that accuracy of evaluating reaction barrier is somewhat deteriorated compared to MP2.</p><p>Best,</p><p>Tian</p>]]></description>
			<author><![CDATA[dummy@example.com (sobereva)]]></author>
			<pubDate>Mon, 13 Mar 2023 11:47:21 +0000</pubDate>
			<guid>http://sobereva.com/wfnbbs/viewtopic.php?pid=3038#p3038</guid>
		</item>
		<item>
			<title><![CDATA[SCS-MP2 versus MP2]]></title>
			<link>http://sobereva.com/wfnbbs/viewtopic.php?pid=3037#p3037</link>
			<description><![CDATA[<p>Dear Tian,</p><p>Could you please let me know what is the advantage(s) of SCS-MP2 method with respect to the MP2 one? For instance, what is advantage of a SCS-MP2 wavefunction with respect to the MP2 wavafunction? Can we claim the SCS-MP2 geometry and energy is more accurate than the MP2 geometry and energy?<br />Finally, which of SCS-MP2 and MP2 takes into account the &quot;electron correlation&quot; and &quot;dispersion effect&quot; in a more accurate manner?</p><p>In advance, too many thanks for your kind attention and, valuable time and energy.</p><p>Sincerely yours,<br />Saeed</p>]]></description>
			<author><![CDATA[dummy@example.com (saeed_E)]]></author>
			<pubDate>Sun, 12 Mar 2023 10:19:56 +0000</pubDate>
			<guid>http://sobereva.com/wfnbbs/viewtopic.php?pid=3037#p3037</guid>
		</item>
	</channel>
</rss>
