Multireference perturbation theory can predict a false ground state

Title:	Multireference perturbation theory can predict a false ground state
Authors:	Camacho, Cristopher Cimiraglia, Renzo Witek, Henryk A. 應用化學系應用化學系分子科學碩博班 Department of Applied Chemistry Institute of Molecular science
Issue Date:	2010
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.
URI:	http://hdl.handle.net/11536/6231 http://dx.doi.org/10.1039/c000196a
ISSN:	1463-9076
DOI:	10.1039/c000196a
Journal:	PHYSICAL CHEMISTRY CHEMICAL PHYSICS
Volume:	12
Issue:	19
Begin Page:	5058
End Page:	5060
Appears in Collections:	Articles

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APA	Camacho, C., Cimiraglia, R., & Witek, H. A. (2010). Multireference perturbation theory can predict a false ground state. WOS:000277359300019.
Bibtex	@article{Camacho2010Multireference, title={Multireference perturbation theory can predict a false ground state}, author={Camacho, Cristopher and Cimiraglia, Renzo and Witek, Henryk A.}, journal={WOS:000277359300019}, year={2010}, url={https://ir.lib.nycu.edu.tw/handle/11536/6231}, }