Search results
- 1.0534787 - FZÚ 2021 RIV NL eng J - Journal Article
Novák, Matyáš - Vackář, Jiří - Cimrman, R.
Evaluating Hellmann-Feynman forces within non-local pseudopotentials.
Computer Physics Communications. Roč. 250, May (2020), s. 1-10, č. článku 107034. ISSN 0010-4655. E-ISSN 1879-2944
R&D Projects: GA ČR(CZ) GA17-12925S; GA ČR GA17-14840S
Institutional support: RVO:68378271
Keywords : ab-initio calculations * electronic structure * pseudopotential * Hellman-Feynman forces
OECD category: Condensed matter physics (including formerly solid state physics, supercond.)
Impact factor: 4.390, year: 2020
Method of publishing: Limited access
https://doi.org/10.1016/j.cpc.2019.107034
Permanent Link: http://hdl.handle.net/11104/0312957 - 2.0519583 - FZÚ 2020 RIV GB eng J - Journal Article
Šipr, Ondřej - Khan, W. - Joly, Y. - Minář, J.
Ca and S K-edge XANES of CaS calculated by different methods: influence of full potential, core hole and Eu doping.
Journal of Synchrotron Radiation. Roč. 26, č. 1 (2019), s. 152-158. ISSN 0909-0495. E-ISSN 1600-5775
R&D Projects: GA ČR GA17-14840S
Institutional support: RVO:68378271
Keywords : xanes * CaS * full potential * core hole
OECD category: Condensed matter physics (including formerly solid state physics, supercond.)
Impact factor: 2.251, year: 2019
Method of publishing: Limited access
https://doi.org/10.1107/s1600577518016144
Permanent Link: http://hdl.handle.net/11104/0304571 - 3.0519173 - FZÚ 2020 RIV US eng J - Journal Article
Šipr, Ondřej - Mankovsky, S. - Ebert, H.
Spin wave stiffness and exchange stiffness of doped permalloy via ab initio calculations.
Physical Review B. Roč. 100, č. 2 (2019), s. 1-11, č. článku 024435. ISSN 2469-9950. E-ISSN 2469-9969
R&D Projects: GA ČR GA17-14840S
Institutional support: RVO:68378271
Keywords : stiffness * alloys * magnetic excitations
OECD category: Condensed matter physics (including formerly solid state physics, supercond.)
Impact factor: 3.575, year: 2019
Method of publishing: Limited access
https://doi.org/10.1103/physrevb.100.024435
Permanent Link: http://hdl.handle.net/11104/0304197 - 4.0498330 - FZÚ 2019 RIV GB eng J - Journal Article
Šipr, Ondřej - Vackář, Jiří - Minár, J.
Finite lifetime broadening of calculated X-ray absorption spectra: possible artefacts close to the edge.
Journal of Synchrotron Radiation. Roč. 25, č. 2 (2018), s. 523-528. ISSN 0909-0495. E-ISSN 1600-5775
R&D Projects: GA MŠMT LD15097; GA ČR GA17-14840S
Institutional support: RVO:68378271
Keywords : X-ray absorption spectroscopy * core hole lifetime * multiple-scattering formalism
OECD category: Condensed matter physics (including formerly solid state physics, supercond.)
Impact factor: 2.452, year: 2018
Permanent Link: http://hdl.handle.net/11104/0290856