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- 1.0399701 - ÚI 2014 RIV US eng C - Conference Paper (international conference)
Cimrman, R. - Tůma, Miroslav - Novák, M. - Čertík, O. - Plešek, Jiří - Vackář, Jiří
Python-based finite element code used as a universal and modular tool for electronic structure calculation.
11th International Conference of Numerical Analysis and Applied Mathematics ICNAAM 2013. New York: AIP Publishing LLC, 2013 - (Simos, T.; Psihoyios, G.; Tsitouras, C.), s. 1532-1535. AIP Conference Proceedings, 1558. ISBN 978-0-7354-1184-5. ISSN 1551-7616.
[ICNAAM 2013. International Conference on Numerical Analysis and Applied Mathematics /11./. Rhodes (GR), 21.09.2013-27.09.2013]
R&D Projects: GA ČR(CZ) GAP108/11/0853; GA ČR GA101/09/1630
Institutional support: RVO:67985807 ; RVO:68378271 ; RVO:61388998
Keywords : DFT * electronic structure * FEM * Python
Subject RIV: IN - Informatics, Computer Science; BE - Theoretical Physics (FZU-D); BE - Theoretical Physics (UT-L)
Permanent Link: http://hdl.handle.net/11104/0226944File Download Size Commentary Version Access a0399701.pdf 1 185.3 KB Publisher’s postprint require - 2.0397015 - FZÚ 2014 RIV AT eng C - Conference Paper (international conference)
Cimrman, R. - Vackář, Jiří - Novák, M. - Čertík, O. - Rohan, E. - Tůma, Miroslav
Finite element code in Python as a universal and modular tool applied to Kohn-Sham equations.
ECCOMAS 2012 - European Congress on Computational Methods in Applied Sciences and Engineering. Vienna: Vienna University of Technology, 2012 - (Eberhardsteiner, J.; Böhm, H.; Rammerstorfer, F.), s. 5212-5221. ISBN 9783950353709.
[European Congress on Computational Methods in Applied Sciences and Engineering (ECCOMAS 2012) /6./. Vienna (AT), 10.09.2012-14.09.2012]
R&D Projects: GA ČR GA101/09/1630; GA ČR(CZ) GAP108/11/0853
Institutional support: RVO:68378271 ; RVO:67985807
Keywords : electronic structure * density-functional theory * pseudopotentials * molecules * clusters * finite-element method
Subject RIV: BE - Theoretical Physics; IN - Informatics, Computer Science (UIVT-O)
Permanent Link: http://hdl.handle.net/11104/0224667 - 3.0396860 - FZÚ 2014 RIV GB eng C - Conference Paper (international conference)
Šipr, Ondřej - Vackář, Jiří - Vachhani, P.S. - Ramamoorthy, R.K. - Dalba, G. - Bhatnagar, A.K. - Rocca, F.
Local structure and magnetism of Cu-doped ZnO via Cu K-edge XAS and XMCD: theory and experiment.
XAFS 2012 - 15th International Conference on X-Ray Absorption Fine Structure. Bristol: IOP Publishing Ltd, 2013, 012128. Journal of Physics: Conference Series, vol. 430. ISSN 1742-6588.
[International Conference on X-ray Absorption Fine Structure (XAFS) /15./. Beijing (CN), 22.07.2012-28.07.2012]
R&D Projects: GA ČR(CZ) GAP108/11/0853
Institutional support: RVO:68378271
Keywords : x-ray spectra * K-edge XANES * magnetic properties * ZnO
Subject RIV: BE - Theoretical Physics
Permanent Link: http://hdl.handle.net/11104/0224534