000015676 001__ 15676
000015676 005__ 20210129210628.0
000015676 0247_ $$2pmid$$apmid:22204633
000015676 0247_ $$2DOI$$a10.1021/cr200137a
000015676 0247_ $$2WOS$$aWOS:000301082900004
000015676 0247_ $$2altmetric$$aaltmetric:8906194
000015676 037__ $$aPreJuSER-15676
000015676 041__ $$aeng
000015676 082__ $$a540
000015676 084__ $$2WoS$$aChemistry, Multidisciplinary
000015676 1001_ $$0P:(DE-HGF)0$$aSzalay, P.G.$$b0
000015676 245__ $$aMulticonfiguration Self-Consistent Field and Multireference Configuration Interaction Methods and Applications
000015676 260__ $$aWashington, DC$$bACS Publ.$$c2012
000015676 300__ $$a108 - 181
000015676 3367_ $$0PUB:(DE-HGF)16$$2PUB:(DE-HGF)$$aJournal Article
000015676 3367_ $$2DataCite$$aOutput Types/Journal article
000015676 3367_ $$00$$2EndNote$$aJournal Article
000015676 3367_ $$2BibTeX$$aARTICLE
000015676 3367_ $$2ORCID$$aJOURNAL_ARTICLE
000015676 3367_ $$2DRIVER$$aarticle
000015676 440_0 $$013701$$aChemical Reviews$$v112$$x0009-2665$$y1
000015676 500__ $$aThe authors gratefully acknowledge many discussions with our senior collaborators, Profs. Isaiah Shavitt and Russell M. Pitzer, who have inspired and stimulated our interests in the topics discussed in this review. We also thank the reviewers for their careful reading of this long paper and for many useful suggestions. R.S. was supported by the Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences, U.S. Department of Energy under Contract DE-AC02-06CH11357. P.G.S. acknowledges financial support by the Hungarian American Enterprise Scholarship Foundation (HAESF) during his sabbatical stay at the University of Florida and by Orszagos Tudomanyos Kutatasi Alap (OTKA; Grant No. F72423). Contribution from TAMOP, supported by the European Union and cofinanced by the European Social Fund (Grant Agreement No. TAMOP 4.2.1/B-09/1/KMR-2010-0003) is also acknowledged. H.L. was supported by the Austrian Science Fund within the framework of the Special Research Program F41 (ViCoM); this work was performed as part of research supported by the National Science Foundation Partnership in International Research and Education (PIRE) Grant No. OISE-0730114; support was also provided by the Robert A. Welch Foundation under Grant No. D-0005. G.G. was supported by an award from Research Corporation for Science Advancement and a grant to Gonzaga University from the Howard Hughes Medical Institute through the Undergraduate Science Education Program. T.M. acknowledges support by the John-von-Neumann Centre for Computing.
000015676 536__ $$0G:(DE-Juel1)FUEK411$$2G:(DE-HGF)$$aScientific Computing (FUEK411)$$cFUEK411$$x0
000015676 536__ $$0G:(DE-HGF)POF2-411$$a411 - Computational Science and Mathematical Methods (POF2-411)$$cPOF2-411$$fPOF II$$x1
000015676 588__ $$aDataset connected to Web of Science, Pubmed
000015676 650_2 $$2MeSH$$aAlgorithms
000015676 650_2 $$2MeSH$$aMolecular Conformation
000015676 650_2 $$2MeSH$$aQuantum Theory
000015676 650_2 $$2MeSH$$aThermodynamics
000015676 650_7 $$2WoSType$$aJ
000015676 7001_ $$0P:(DE-Juel1)132204$$aMüller, T.$$b1$$uFZJ
000015676 7001_ $$0P:(DE-HGF)0$$aGidofalvi, G.$$b2
000015676 7001_ $$0P:(DE-HGF)0$$aLischka, H.$$b3
000015676 7001_ $$0P:(DE-HGF)0$$aShepard, R.$$b4
000015676 773__ $$0PERI:(DE-600)2003609-7$$a10.1021/cr200137a$$gVol. 112, p. 108 - 181$$p108 - 181$$q112<108 - 181$$tChemical reviews$$v112$$x0009-2665$$y2012
000015676 8567_ $$uhttp://dx.doi.org/10.1021/cr200137a
000015676 909CO $$ooai:juser.fz-juelich.de:15676$$pVDB
000015676 915__ $$0StatID:(DE-HGF)0010$$2StatID$$aJCR/ISI refereed
000015676 915__ $$0StatID:(DE-HGF)0100$$2StatID$$aJCR
000015676 915__ $$0StatID:(DE-HGF)0110$$2StatID$$aWoS$$bScience Citation Index
000015676 915__ $$0StatID:(DE-HGF)0111$$2StatID$$aWoS$$bScience Citation Index Expanded
000015676 915__ $$0StatID:(DE-HGF)0150$$2StatID$$aDBCoverage$$bWeb of Science Core Collection
000015676 915__ $$0StatID:(DE-HGF)0199$$2StatID$$aDBCoverage$$bThomson Reuters Master Journal List
000015676 915__ $$0StatID:(DE-HGF)0200$$2StatID$$aDBCoverage$$bSCOPUS
000015676 915__ $$0StatID:(DE-HGF)0300$$2StatID$$aDBCoverage$$bMedline
000015676 915__ $$0StatID:(DE-HGF)0310$$2StatID$$aDBCoverage$$bNCBI Molecular Biology Database
000015676 915__ $$0StatID:(DE-HGF)0420$$2StatID$$aNationallizenz
000015676 915__ $$0StatID:(DE-HGF)1040$$2StatID$$aDBCoverage$$bZoological Record
000015676 9141_ $$y2012
000015676 9132_ $$0G:(DE-HGF)POF3-511$$1G:(DE-HGF)POF3-510$$2G:(DE-HGF)POF3-500$$aDE-HGF$$bKey Technologies$$lSupercomputing & Big Data$$vComputational Science and Mathematical Methods$$x0
000015676 9131_ $$0G:(DE-HGF)POF2-411$$1G:(DE-HGF)POF2-410$$2G:(DE-HGF)POF2-400$$3G:(DE-HGF)POF2$$4G:(DE-HGF)POF$$aDE-HGF$$bSchlüsseltechnologien$$lSupercomputing$$vComputational Science and Mathematical Methods$$x1
000015676 9201_ $$0I:(DE-Juel1)JSC-20090406$$gJSC$$kJSC$$lJülich Supercomputing Centre$$x0
000015676 970__ $$aVDB:(DE-Juel1)128873
000015676 980__ $$aVDB
000015676 980__ $$aConvertedRecord
000015676 980__ $$ajournal
000015676 980__ $$aI:(DE-Juel1)JSC-20090406
000015676 980__ $$aUNRESTRICTED