Multireference perturbation theory can predict a false ground state

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DC Field	Value	Language
dc.contributor.author	Camacho, Cristopher	en_US
dc.contributor.author	Cimiraglia, Renzo	en_US
dc.contributor.author	Witek, Henryk A.	en_US
dc.date.accessioned	2014-12-08T15:07:54Z	-
dc.date.available	2014-12-08T15:07:54Z	-
dc.date.issued	2010	en_US
dc.identifier.issn	1463-9076	en_US
dc.identifier.uri	http://hdl.handle.net/11536/6231	-
dc.identifier.uri	http://dx.doi.org/10.1039/c000196a	en_US
dc.description.abstract	Prediction of a false ground state with popular variants of multireference perturbation theory (CASPT2 and MRMP) is reported for a remarkably simple chemical system: the Sc(2) molecule.	en_US
dc.language.iso	en_US	en_US
dc.title	Multireference perturbation theory can predict a false ground state	en_US
dc.type	Article	en_US
dc.identifier.doi	10.1039/c000196a	en_US
dc.identifier.journal	PHYSICAL CHEMISTRY CHEMICAL PHYSICS	en_US
dc.citation.volume	12	en_US
dc.citation.issue	19	en_US
dc.citation.spage	5058	en_US
dc.citation.epage	5060	en_US
dc.contributor.department	應用化學系	zh_TW
dc.contributor.department	應用化學系分子科學碩博班	zh_TW
dc.contributor.department	Department of Applied Chemistry	en_US
dc.contributor.department	Institute of Molecular science	en_US
dc.identifier.wosnumber	WOS:000277359300019	-
dc.citation.woscount	17	-
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