MCQDPT vs. XMCQDPT: low-lying excited states of O3 molecule Ilya G. Ryabinkin1 , Laboratory of Quantum Mechanics and Molecular Structure, Chemistry Department of Moscow State University, 119991, Leninskie Gory 1-3, Moscow, Russia. ... XMCQDPT: low-lying excited states of O3 Introduction: A brief overview of MCQDPT theory Reliable, cost-effective alternative to other multi-reference (MR) approaches, such as MR-CI(+Q), ic -MRCI, MR-AQCC and MR-ACPF. ... XMCQDPT: low-lying excited states of O3 ...
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Ссылки http://classic.chem.msu.su/gran/gamess/mcqdpt-vs-xmcqdpt-in-O3.pdf -- 362.8 Кб -- 04.03.2009 Похожие документы
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Ссылки http://www.socio.msu.ru/vestnik/archive/2010/4/01.pdf -- 124.1 Кб -- 11.11.2012
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Ссылки http://vestnik.socio.msu.ru/archive/2010/4/01.pdf -- 124.1 Кб -- 12.01.2015 Похожие документы
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Ссылки http://www.innovation.msu.ru/english/reportofinvention.doc -- 166.5 Кб -- 27.10.2005
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Ссылки http://innovation.msu.ru/english/reportofinvention.doc -- 166.5 Кб -- 27.10.2005 Похожие документы
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Ссылки http://imaging.cs.msu.ru/pub/2011.Graphicon.Lebedev_Ignatenko.Light.en.pdf -- 203.3 Кб -- 22.08.2011
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Ссылки http://imaging.cs.msu.su/pub/2011.Graphicon.Lebedev_Ignatenko.Light.en.pdf -- 203.3 Кб -- 22.08.2011
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Ссылки http://imaging.cmc.msu.ru/pub/2011.Graphicon.Lebedev_Ignatenko.Light.en.pdf -- 203.3 Кб -- 22.08.2011 Похожие документы
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