Constrained Density Functional Theory (English)
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In:
Chemical reviews
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112
, 1
; 321-371
;
2012
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ISSN:
- Article (Journal) / Print
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Title:Constrained Density Functional Theory
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Contributors:
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Published in:Chemical reviews ; 112, 1 ; 321-371
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Publisher:
- New search for: American Chemical Society
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Place of publication:Washington, DC
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Publication date:2012
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ISSN:
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ZDBID:
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Type of media:Article (Journal)
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Type of material:Print
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Language:English
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Keywords:
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Source:
Table of contents – Volume 112, Issue 1
The tables of contents are generated automatically and are based on the data records of the individual contributions available in the index of the TIB portal. The display of the Tables of Contents may therefore be incomplete.
- 1
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Introduction to the Quantum Chemistry 2012 IssuePyykkö, Pekka / Stanton, John F. et al. | 2012
- 4
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Explicitly Correlated Electrons in MoleculesHättig, Christof / Klopper, Wim / Köhn, Andreas / Tew, David P. et al. | 2012
- 75
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Explicitly Correlated R12/F12 Methods for Electronic StructureKong, Liguo / Bischoff, Florian A. / Valeev, Edward F. et al. | 2012
- 108
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Multiconfiguration Self-Consistent Field and Multireference Configuration Interaction Methods and ApplicationsSzalay, Péter G. / Müller, Thomas / Gidofalvi, Gergely / Lischka, Hans / Shepard, Ron et al. | 2012
- 182
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Multireference Nature of Chemistry: The Coupled-Cluster ViewLyakh, Dmitry I. / Musiał, Monika / Lotrich, Victor F. / Bartlett, Rodney J. et al. | 2012
- 244
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Two-Electron Reduced Density Matrix as the Basic Variable in Many-Electron Quantum Chemistry and PhysicsMazziotti, David A. et al. | 2012
- 263
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Quantum Monte Carlo and Related ApproachesAustin, Brian M. / Zubarev, Dmitry Yu. / Lester, William A. et al. | 2012
- 289
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Challenges for Density Functional TheoryCohen, Aron J. / Mori-Sánchez, Paula / Yang, Weitao et al. | 2012
- 321
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Constrained Density Functional TheoryKaduk, Benjamin / Kowalczyk, Tim / Van Voorhis, Troy et al. | 2012
- 371
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The Physics behind Chemistry and the Periodic TablePyykkö, Pekka et al. | 2012
- 385
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The Douglas–Kroll–Hess ApproachNakajima, Takahito / Hirao, Kimihiko et al. | 2012
- 403
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Relativistic Pseudopotentials: Their Development and Scope of ApplicationsDolg, Michael / Cao, Xiaoyan et al. | 2012
- 481
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Nonadiabatic Quantum ChemistryPast, Present, and FutureYarkony, David R. et al. | 2012
- 499
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Fundamental Approaches to Nonadiabaticity: Toward a Chemical Theory beyond the Born–Oppenheimer ParadigmYonehara, Takehiro / Hanasaki, Kota / Takatsuka, Kazuo et al. | 2012
- 543
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Recent Advances in Wave Function-Based Methods of Molecular-Property CalculationsHelgaker, Trygve / Coriani, Sonia / Jørgensen, Poul / Kristensen, Kasper / Olsen, Jeppe / Ruud, Kenneth et al. | 2012
- 632
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Fragmentation Methods: A Route to Accurate Calculations on Large SystemsGordon, Mark S. / Fedorov, Dmitri G. / Pruitt, Spencer R. / Slipchenko, Lyudmila V. et al. | 2012