Journal Article

PreJuSER-15676

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png Multiconfiguration Self-Consistent Field and Multireference Configuration Interaction Methods and Applications

Szalay, P. G. ; Müller, T.FZJ* ; Gidofalvi, G. ; Lischka, H. ; Shepard, R.

2012
ACS Publ. Washington, DC

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Please use a persistent id in citations: doi:10.1021/cr200137a

Keyword(s): Algorithms (MeSH) ; Molecular Conformation (MeSH) ; Quantum Theory (MeSH) ; Thermodynamics (MeSH) ; J

Note: The authors gratefully acknowledge many discussions with our senior collaborators, Profs. Isaiah Shavitt and Russell M. Pitzer, who have inspired and stimulated our interests in the topics discussed in this review. We also thank the reviewers for their careful reading of this long paper and for many useful suggestions. R.S. was supported by the Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences, U.S. Department of Energy under Contract DE-AC02-06CH11357. P.G.S. acknowledges financial support by the Hungarian American Enterprise Scholarship Foundation (HAESF) during his sabbatical stay at the University of Florida and by Orszagos Tudomanyos Kutatasi Alap (OTKA; Grant No. F72423). Contribution from TAMOP, supported by the European Union and cofinanced by the European Social Fund (Grant Agreement No. TAMOP 4.2.1/B-09/1/KMR-2010-0003) is also acknowledged. H.L. was supported by the Austrian Science Fund within the framework of the Special Research Program F41 (ViCoM); this work was performed as part of research supported by the National Science Foundation Partnership in International Research and Education (PIRE) Grant No. OISE-0730114; support was also provided by the Robert A. Welch Foundation under Grant No. D-0005. G.G. was supported by an award from Research Corporation for Science Advancement and a grant to Gonzaga University from the Howard Hughes Medical Institute through the Undergraduate Science Education Program. T.M. acknowledges support by the John-von-Neumann Centre for Computing.

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Contributing Institute(s):

1. Jülich Supercomputing Centre (JSC)

Research Program(s):

1. Scientific Computing (FUEK411) (FUEK411)
2. 411 - Computational Science and Mathematical Methods (POF2-411) (POF2-411)

Appears in the scientific report 2012

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Database coverage:
; JCR ; NCBI Molecular Biology Database ; Nationallizenz ; SCOPUS ; Science Citation Index ; Science Citation Index Expanded ; Thomson Reuters Master Journal List ; Web of Science Core Collection ; Zoological Record

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