Filtry
Multicenter approach to the exchange-correlation interaction in ab initio tight-binding methods
An approximate method to calculate exchange-correlation contributions in the framework of first-principles tight-binding molecular dynamics methods has been developed......
BM - Fyzika pevných látek a magnetismus
- 2005 •
- Jx
Rok uplatnění
Jx - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)
Towards nanometer scale MOSFETs
Two theoretical methods, the effective mass approximation and the tight binding method, that can be used for nanoscale MOSFETs modeling are briefly described, Both methods can be implemented on a PC comput...
JA - Elektronika a optoelektronika, elektrotechnika
- 2003 •
- D
Rok uplatnění
D - Stať ve sborníku
Electronics structure of UGa3 calculated by tight binding and LDA methods
BM - Fyzika pevných látek a magnetismus
- 1994 •
- Jx
Rok uplatnění
Jx - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)
Comparative study of tight-binding and ab initio electronic structure calculations focused on magnetic anisotropy in ordered CoPt alloy
An empirical multiorbital tight binding model including magnetism and spin-orbit coupling is applied to calculations of magnetic anisotropy energy in CoPt L10 structure....
BM - Fyzika pevných látek a magnetismus
- 2014 •
- Jx •
- Odkaz
Rok uplatnění
Jx - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)
Výsledek na webu
Influence of model parameters on a simulation of x-ray irradiated materials: example of XTANT code
parameterizations of transferable tight binding method for silicon are analyzed.n. Medvedev et al., Phys. Rev. B 91 (2015) 054113. It combines tight binding molecular......
Fluids and plasma physics (including surface physics)
- 2017 •
- D •
- Odkaz
Rok uplatnění
D - Stať ve sborníku
Výsledek na webu
Classical Monte-Carlo simulations of X-ray-induced electron cascades in various materials
parameterizations of transferable tight binding method for silicon are analyzed.n. Medvedev et al., Phys. Rev. B 91 (2015) 054113. It combines tight binding molecular......
Fluids and plasma physics (including surface physics)
- 2017 •
- D •
- Odkaz
Rok uplatnění
D - Stať ve sborníku
Výsledek na webu
Properties of Compressed Overlayers: Tight-binding Study of Pd/Co(0001) and CO Chemisorption.
Original scientific paper dealing with Properties of Compressed Overlayers: Tight-binding Study of Pd/Co(0001) and CO Chemisorption.
CF - Fyzikální chemie a teoretická chemie
- 1998 •
- Jx
Rok uplatnění
Jx - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)
Interatomic electron transport by semiempirical and ab initio tight-binding approaches.
A unified approach to electron transport applicable both in semiempirical and ab initio tight-binding techniques is given.
BM - Fyzika pevných látek a magnetismus
- 2002 •
- Jx
Rok uplatnění
Jx - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)
Modeling electronic and optical properties of III–V quantum dots—selected recent developments
Electronic properties of selected quantum dot (QD) systems are surveyed based on the multi-band k·p method, which we benchmark by direct comparison to the empirical tight-binding algorithm, and we also discuss the newly dev...
Optics (including laser optics and quantum optics)
- 2022 •
- Jimp •
- Odkaz
Rok uplatnění
Jimp - Článek v periodiku v databázi Web of Science
Výsledek na webu
DFTB+, a software package for efficient approximate density functional theory based atomistic simulations
fast and efficient methods for carrying out atomistic quantum mechanical simulations. By implementing various methods approximating density functional theory (DFT), such as the density functional based tight binding
Physical chemistry
- 2020 •
- Jimp •
- Odkaz
Rok uplatnění
Jimp - Článek v periodiku v databázi Web of Science
Výsledek na webu
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