New algorithms for iterative matrix‐free eigensolvers in quantum chemistry (English)
- New search for: Zuev, Dmitry
- New search for: Zuev, Dmitry
- New search for: Vecharynski, Eugene
- New search for: Yang, Chao
- New search for: Orms, Natalie
- New search for: Krylov, Anna I
In:
Journal of computational chemistry
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36
, 5
; 273-284
;
2015
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ISSN:
- Article (Journal) / Print
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Title:New algorithms for iterative matrix‐free eigensolvers in quantum chemistry
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Contributors:
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Published in:Journal of computational chemistry ; 36, 5 ; 273-284
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Publisher:
- New search for: Wiley
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Place of publication:New York, NY
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Publication date:2015
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ISSN:
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ZDBID:
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DOI:
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Type of media:Article (Journal)
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Type of material:Print
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Language:English
- New search for: 770/3155/3600
- New search for: 35.05 / 35.05
- Further information on Basic classification
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Keywords:
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Classification:
Local classification TIB: 770/3155/3600 BKL: 35.05 / 35.05 Mathematische Chemie, chemische Statistik -
Source:
Table of contents – Volume 36, Issue 5
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.
- 273
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New algorithms for iterative matrix‐free eigensolvers in quantum chemistryZuev, Dmitry / Vecharynski, Eugene / Yang, Chao / Orms, Natalie / Krylov, Anna I. et al. | 2015
- 285
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Quantum‐chemistry based calibration of the alkali metal cation series (Li+Cs+) for large‐scale polarizable molecular mechanics/dynamics simulationsDudev, Todor / Devereux, Mike / Meuwly, Markus / Lim, Carmay / Piquemal, Jean‐Philip / Gresh, Nohad et al. | 2015
- 303
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Local response dispersion method in periodic systems: Implementation and assessmentIkabata, Yasuhiro / Tsukamoto, Yusuke / Imamura, Yutaka / Nakai, Hiromi et al. | 2015
- 312
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A surface hopping algorithm for nonadiabatic minimum energy path calculationsSchapiro, Igor / Roca‐Sanjuán, Daniel / Lindh, Roland / Olivucci, Massimo et al. | 2015
- 321
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Implementation of a graphical user interface for the virtual multifrequency spectrometer: The VMS‐Draw toolLicari, Daniele / Baiardi, Alberto / Biczysko, Malgorzata / Egidi, Franco / Latouche, Camille / Barone, Vincenzo et al. | 2015
- 335
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Automatic algorithms for completeness‐optimization of Gaussian basis setsLehtola, Susi et al. | 2015
- 348
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pmx: Automated protein structure and topology generation for alchemical perturbationsGapsys, Vytautas / Michielssens, Servaas / Seeliger, Daniel / de Groot, Bert L. et al. | 2015
- i
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Cover Image, Volume 36, Issue 5| 2015