Standard grids for high‐precision integration of modern density functionals: SG‐2 and SG‐3 (English)
- New search for: Dasgupta, Saswata
- New search for: Herbert, John M.
- New search for: Dasgupta, Saswata
- New search for: Herbert, John M.
In:
Journal of Computational Chemistry
;
38
, 12
;
869-882
;
2017
- Article (Journal) / Electronic Resource
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Title:Standard grids for high‐precision integration of modern density functionals: SG‐2 and SG‐3
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Contributors:Dasgupta, Saswata ( author ) / Herbert, John M. ( author )
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Published in:Journal of Computational Chemistry ; 38, 12 ; 869-882
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Publisher:
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Publication date:2017-05-05
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Size:14 pages
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ISSN:
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DOI:
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Type of media:Article (Journal)
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Type of material:Electronic Resource
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Language:English
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Keywords:
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Source:
Table of contents – Volume 38, Issue 12
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.
- 855
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Issue Information| 2017
- 861
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Modeling adsorbate‐induced property changes of carbon nanotubesGroß, Lynn / Bahlke, Marc Philipp / Steenbock, Torben / Klinke, Christian / Herrmann, Carmen et al. | 2017
- 869
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Standard grids for high‐precision integration of modern density functionals: SG‐2 and SG‐3Dasgupta, Saswata / Herbert, John M. et al. | 2017
- 883
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How computational methods and relativistic effects influence the study of chemical reactions involving Ru‐NO complexes?Orenha, Renato Pereira / Santiago, Régis Tadeu / Haiduke, Roberto Luiz Andrade / Galembeck, Sérgio Emanuel et al. | 2017
- 892
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Ab initio potential energy surface and vibration‐rotation energy levels of sulfur dioxideKoput, Jacek et al. | 2017
- 901
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Theoretical rationalization for reduced charge recombination in bulky carbazole‐based sensitizers in solar cellsSurakhot, Yaowarat / Laszlo, Viktor / Chitpakdee, Chirawat / Promarak, Vinich / Sudyoadsuk, Taweesak / Kungwan, Nawee / Kowalczyk, Tim / Irle, Stephan / Jungsuttiwong, Siriporn et al. | 2017
- 910
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Optimization of complex slater‐type functions with analytic derivative methods for describing photoionization differential cross sectionsMatsuzaki, Rei / Yabushita, Satoshi et al. | 2017
- 926
-
A new extension of classical molecular dynamics: An electron transfer algorithmRaskovalov, Anton et al. | 2017
- 933
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Corrigendum: Competition between Hydrogen and Halogen Bonding in Halogenated 1‐Methyluracil:Water SystemsHogan, Simon W. L. / van Mourik, Tanja et al. | 2017
- i
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Cover Image, Volume 38, Issue 12| 2017