Filtry
Comparision between ab-initio and phenomenological modeling of the exchange couplings in diluted magnetic semiconductors: the case of Zn1-xCrxTe
Exchange interactions and Curie temperatures of (Zn,Cr)Te alloys were determined using ab-initio nad phemomenological approaches...
BM - Fyzika pevných látek a magnetismus
- 2006 •
- Jx
Rok uplatnění
Jx - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)
BioSAXS practical course
Introduction to BioSAXS; SAXS data acquisition; Ab intio modelling; evaluation of scattering from atomic models; Rigid body modelling......
Chemical sciences
- 2018 •
- W
Rok uplatnění
W - Uspořádání workshopu
Benchmark calculations of electromagnetic sum rules with a symmetry-adapted basis and hyperspherical harmonics
We demonstrate the ability to calculate electromagnetic sum rules with the ab initio symmetry-adapted no-core shell model. By implementing the Lanczos algorithm, we compute nonenergy weighted, energy weighted, and inverse energy wei...
Atomic, molecular and chemical physics (physics of atoms and molecules including collision, interaction with radiation, magnetic resonances, Mössbauer effect)
- 2020 •
- Jimp •
- Odkaz
Rok uplatnění
Jimp - Článek v periodiku v databázi Web of Science
Výsledek na webu
Local Modification of Magnetic Properties of Transition Metals: The Role of Adsorbates.
interest in the use of the non ab-intio methods is in the possibility to obtain general on the ab-initio level. In case of the magnetic-anisotropy-energy, the semi-empirical......
CF - Fyzikální chemie a teoretická chemie
- 2002 •
- D
Rok uplatnění
D - Stať ve sborníku
Proton transfer from pinene stabilizes water clusters
pathway is detailed by ab intio calculations, demonstrating the feasibility of proton...
Physical chemistry
- 2019 •
- Jimp •
- Odkaz
Rok uplatnění
Jimp - Článek v periodiku v databázi Web of Science
Výsledek na webu
First principles study of structural, electronic and magnetic properties of Mg(1-x)Mn(x)Te alloys
Density functional FP-LAPW + lo calculations have been performed to study the structural, electronic and magnetic properties of Mg(1-x)Mn(x)Te for compositional parameter x = 0.25, 0.50, 0.75 and 1. Our calculations reveal the occur...
BO - Biofyzika
- 2011 •
- Jx •
- Odkaz
Rok uplatnění
Jx - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)
Výsledek na webu
Symmetry-guided large-scale shell-model theory
as well as partial symmetries for enabling a deeper understanding of and advancing ab calculations with QCD-inspired interactions, allow the model space size to be reduced subspaces. This is illustrated for the ab initio s...
BE - Teoretická fyzika
- 2016 •
- Jx •
- Odkaz
Rok uplatnění
Jx - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)
Výsledek na webu
Ab initio calculated energy of formation of chromium Laves phases in phase equilibrium calculations
Ab initio calculated energies of formation of Laves phases were used successfully for phase equilibrium calculations.
BJ - Termodynamika
- 2015 •
- O
Rok uplatnění
O - Ostatní výsledky
Aspects of magnetotunnelling drawn from ab-initio-type calculations
Aspects of magnetotunnelling drawn from ab-initio-type calculations...
BM - Fyzika pevných látek a magnetismus
- 2002 •
- Jx
Rok uplatnění
Jx - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)
Benzylideneanilines- ab initio calculation of the solvent dependence of the chemical shift
Benzylideneanilines- ab initio calculation of the solvent dependence of the chemical shift...
CF - Fyzikální chemie a teoretická chemie
- 2000 •
- D
Rok uplatnění
D - Stať ve sborníku
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