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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 computer and both give s...
JA - Elektronika a optoelektronika, elektrotechnika
- 2003 •
- D
Rok uplatnění
D - Stať ve sborníku
DFTB+, a software package for efficient approximate density functional theory based atomistic simulations
simulations. By implementing various methods approximating density functional theory (DFT), such as the density functional based tight binding (DFTB) and the extended tight binding method initio methods. ...
Physical chemistry
- 2020 •
- Jimp •
- Link
Rok uplatnění
Jimp - Článek v periodiku v databázi Web of Science
Výsledek na webu
Theoretical modeling of influence of the structural disorder on the charge carrier mobility in triphenylene stacks
The tight-binding Hamiltonian is used to describe the charge carrier transport in a stack of triphenylene molecules. The influence of different levels of structural disorder on the on-stack charge carrier mobility is discussed. Stru...
CD - Makromolekulární chemie
- 2010 •
- 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 •
- Link
Rok uplatnění
Jx - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)
Výsledek na webu
Ferromagnetic transition temperature enhancement in (Ga, Mn)As semiconductors by carbon codoping.
We present a theoretical study of (Ga, Mn)(As, C) dilutedmagnetic semiconductors with high C acceptor density that combines insights from phenomenological model and microscopic approaches....
BM - Fyzika pevných látek a magnetismus
- 2003 •
- Jx
Rok uplatnění
Jx - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)
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)
Tightness of Upper Bounds on Rates of Neural-Network Approximation.
Tightness of upper bounds on neural network approximation is investigated in the framework of variable-basis approximation. Conditions are given on a variable basis that do not allow a possibility of improving such bounds b...
BA - Obecná matematika
- 2001 •
- D
Rok uplatnění
D - Stať ve sborníku
Modeling warm dense matter formation within tight binding approximation
And Nonthermal Transition, N. Medvedev et. al, 4open 1, 3, 2018), which combines tight binding (TB) molecular dynamics for atoms with Monte Carlo modeling of high-energy......
Fluids and plasma physics (including surface physics)
- 2019 •
- D •
- Link
Rok uplatnění
D - Stať ve sborníku
Výsledek na webu
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