Search results
- 1.0576991 - FZÚ 2024 RIV NL eng J - Journal Article
Novák, Matyáš - Vackář, Jiří - Cimrman, R. - Šipr, Ondřej
Adaptive Anderson mixing for electronic structure calculations.
Computer Physics Communications. Roč. 292, Nov (2023), č. článku 108865. ISSN 0010-4655. E-ISSN 1879-2944
R&D Projects: GA ČR(CZ) GA23-04746S
Institutional support: RVO:68378271
Keywords : nonlinear solver * adapted mixing coefficient * Anderson mixing * electronic structure calculations * self-consistent cycle
OECD category: Condensed matter physics (including formerly solid state physics, supercond.)
Impact factor: 6.2, year: 2022
Method of publishing: Limited access
https://doi.org/10.1016/j.cpc.2023.108865
Permanent Link: https://hdl.handle.net/11104/0346769 - 2.0463526 - ÚFCH JH 2017 RIV US eng J - Journal Article
Liu, P. - Kaltak, M. - Klimeš, Jiří - Kresse, G.
Cubic scaling GW: Towards fast quasiparticle calculations.
Physical Review B. Roč. 94, č. 16 (2016), s. 165109. ISSN 2469-9950. E-ISSN 2469-9969
Institutional support: RVO:61388955
Keywords : MEAN-FIELD THEORY * ELECTRONIC-STRUCTURE CALCULATIONS * AUGMENTED-WAVE METHOD
Subject RIV: CF - Physical ; Theoretical Chemistry
Impact factor: 3.836, year: 2016
Permanent Link: http://hdl.handle.net/11104/0262701 - 3.0452097 - FZÚ 2016 RIV US eng J - Journal Article
Kolorenč, Jindřich - Shick, Alexander - Lichtenstein, A.I.
Electronic structure and core-level spectra of light actinide dioxides in the dynamical mean-field theory.
Physical Review. B. Roč. 92, č. 8 (2015), "085125-1"-"085125-10". ISSN 1098-0121
R&D Projects: GA ČR GC15-05872J
Institutional support: RVO:68378271
Keywords : electronic-structure calculations * dynamical mean-field theory * Mott insulators * actinides * oxides * photoemission
Subject RIV: BM - Solid Matter Physics ; Magnetism
Impact factor: 3.736, year: 2014
Permanent Link: http://hdl.handle.net/11104/0253121 - 4.0452005 - FZÚ 2016 RIV GB eng C - Conference Paper (international conference)
Kolorenč, Jindřich - Kozub, Agnieszka L. - Shick, Alexander
Theory of valence-band and core-level photoemission from plutonium dioxide.
Journal of Physics: Conference Series. Vol. 592. Bristol: IOP Publishing Ltd,, 2015, 012054. ISSN 1742-6588.
[International Conference on Strongly Correlated Electron Systems 2014 (SCES2014). Grenoble (FR), 07.07.2014-14.07.2014]
R&D Projects: GA ČR(CZ) GAP204/10/0330
Institutional support: RVO:68378271
Keywords : electronic-structure calculations * dynamical mean-field theory * Mott insulators * actinides * oxides * photoemission
Subject RIV: BM - Solid Matter Physics ; Magnetism
Permanent Link: http://hdl.handle.net/11104/0253044 - 5.0451766 - ÚT 2016 RIV CZ eng A - Abstract
Cimrman, R. - Novák, Matyáš - Kolman, Radek - Vackář, Jiří
Real-space ab-initio electronic structure calculations using SfePy.
Computational Mechanics 2015. Plzeň: University of West Bohemia, 2015 - (Adámek, V.). s. 21-22. ISBN 978-80-261-0568-8.
[Computational Mechanics 2015 /31./- conference with international participation /31./. 09.11.2015-11.11.2015, Špičák]
R&D Projects: GA ČR(CZ) GAP108/11/0853; GA ČR(CZ) GAP101/12/2315
Institutional support: RVO:61388998 ; RVO:68378271
Keywords : real-space ab-initio electronic structure calculations * finite element method * isogeometric analysis
Subject RIV: BE - Theoretical Physics
Permanent Link: http://hdl.handle.net/11104/0254923 - 6.0430406 - ÚT 2015 RIV CZ eng A - Abstract
Cimrman, R. - Novák, M. - Kolman, Radek - Tůma, Miroslav - Vackář, Jiří
Isogeometric analysis in electronic structure calculations.
Modelling 2014. Ostrava: Ústav geoniky AV ČR, 2014 - (Blaheta, R.; Starý, J.; Sysalová, D.). s. 49-49. ISBN 978-80-86407-47-0.
[Modelling 2014. 02.06.2014-06.06.2014, Rožnov pod Radhoštěm]
R&D Projects: GA ČR(CZ) GAP101/12/2315; GA ČR(CZ) GAP108/11/0853
Institutional support: RVO:61388998 ; RVO:68378271 ; RVO:67985807
Keywords : isogeometric analysis * electronic structure calculations * density functional theory
Subject RIV: JJ - Other Materials
Permanent Link: http://hdl.handle.net/11104/0239229File Download Size Commentary Version Access 0430406.pdf 6 118.1 KB Publisher’s postprint open-access - 7.0371616 - ÚFM 2012 RIV US eng J - Journal Article
Zelený, Martin - Friák, Martin - Šob, Mojmír
Ab initio study of energetics and magnetism of Fe, Co, and Ni along the trigonal deformation path.
Physical Review. B. Roč. 83, č. 18 (2011), 184424/1-184424/7. ISSN 1098-0121
R&D Projects: GA AV ČR IAA100100920; GA MŠMT(CZ) OC10008
Institutional research plan: CEZ:AV0Z20410507
Keywords : electronic structure calculations * trigonal deformation * magnetism
Subject RIV: BM - Solid Matter Physics ; Magnetism
Impact factor: 3.691, year: 2011
Permanent Link: http://hdl.handle.net/11104/0205091 - 8.0307992 - FZÚ 2008 RIV CH eng J - Journal Article
Karakalos, S. - Ladas, S. - Janeček, P. - Šutara, F. - Nehasil, V. - Tsud, N. - Prince, K. - Matolín, V. - Cháb, Vladimír - Papanicolaou, N.I. - Dianat, A. - Gross, A.
Surface alloying in the Sn/Ni(111) system studied by synchrotron radiation photoelectron valence band spectroscopy and ab-initio density of states calculations.
[Slévání v povrchové vrstvě Sn/Ni(111) zkoumané fotoemisní spektroskopií valenčního pásu synchrotronovým zářením a ab-initio výpočty hustoty stavů.]
Thin Solid Films. Roč. 516, č. 10 (2008), s. 2962-2965. ISSN 0040-6090. E-ISSN 1879-2731
Institutional research plan: CEZ:AV0Z10100521
Keywords : surface alloys * electronic structure calculations * photoelectron spectroscopy * synchrotron radiation
Subject RIV: BM - Solid Matter Physics ; Magnetism
Impact factor: 1.884, year: 2008
Permanent Link: http://hdl.handle.net/11104/0160603 - 9.0133534 - FZU-D 20010229 RIV US eng J - Journal Article
Kuneš, Jan - Novák, Pavel - Schmid, R. - Blaha, P. - Schwarz, K.
Electronic structure of fcc Th: spin- orbit calculation with 6p1/2 local orbital extension.
Physical Review. B. Roč. 64, - (2001), s. 153102-1-153102-3. ISSN 0163-1829
Grant - others:CZ-AT(XX) project No.KONTAKT 1999/21
Institutional research plan: CEZ:A02/98:Z1-010-914
Keywords : actinide compounds * ab initio electronic structure calculations
Subject RIV: BM - Solid Matter Physics ; Magnetism
Impact factor: 3.070, year: 2001
Permanent Link: http://hdl.handle.net/11104/0031499 - 10.0100066 - FZU-D 20040042 RIV US eng J - Journal Article
Javorský, P. - Diviš, M. - Givord, F. - Boucherle, J. X. - Rusz, J. - Leliévre-Berna, E. - Sechovský, V. - Andreev, Alexander V. - Bourdarot, F.
Magnetization densities in UPtAl: Experimental and theoretical study.
[Hustota magnetizace v UPtAl: experimentální a teoretické studie.]
Physical Review. B. Roč. 67, č. 22 (2003), 224429/1-224429/9. ISSN 0163-1829
Institutional research plan: CEZ:AV0Z1010914
Keywords : UPtAl * ferromagnetism * neutron scattering * electronic structure calculations
Subject RIV: BM - Solid Matter Physics ; Magnetism
Impact factor: 2.962, year: 2003
Permanent Link: http://hdl.handle.net/11104/0007573