Multiconfiguration self-consistent field and multireference configuration interaction methods and applications.
作者信息
Szalay Péter G, Müller Thomas, Gidofalvi Gergely, Lischka Hans, Shepard Ron
机构信息
Laboratory for Theoretical Chemistry, Institute of Chemistry, Eötvös Loránd University, P. O. Box 32, H-1518 Budapest, Hungary.
出版信息
Chem Rev. 2012 Jan 11;112(1):108-81. doi: 10.1021/cr200137a. Epub 2011 Dec 28.
PMID:22204633
Abstract
摘要
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