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Calculation of electron structure in solid state chemistry
Calculation of electron structure in solid state chemistry...
CF - Fyzikální chemie a teoretická chemie
- 1999 •
- D
Rok uplatnění
D - Stať ve sborníku
Calculation of electron structure of solid state systems
Calculation method of electron structure of solid state systems...
CF - Fyzikální chemie a teoretická chemie
- 1999 •
- D
Rok uplatnění
D - Stať ve sborníku
Electronic structure and magnetism of MnFeP1-xSix alloys from first-principles calculations
Electronic structure and magnetism of MnFeP1-xSix alloys from first-principles calculations...
BM - Fyzika pevných látek a magnetismus
- 2008 •
- Jx
Rok uplatnění
Jx - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)
Ab initio electronic structure calculations of metal-vacuum-metal junctions in nonequilibrium situations
Ab initio electronic structure calculations of metal-vacuum-metal junctions in nonequilibrium situations...
BM - Fyzika pevných látek a magnetismus
- 2004 •
- Jx
Rok uplatnění
Jx - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)
Application of first-principles electronic structure calculations in phase diagram construction,
Recent results of authors in application of ab initio electronic structure calculations in modelling of phase equilibria in binary and ternary systems were summarized....
BJ - Termodynamika
- 2006 •
- D
Rok uplatnění
D - Stať ve sborníku
Adaptive Anderson mixing for electronic structure calculations
of this coefficient is proposed, implemented, and tested on various solid-state structures within three electronic structure calculation codes.This paper reviews several mixing algorithms for electronic <...
Condensed matter physics (including formerly solid state physics, supercond.)
- 2023 •
- Jimp •
- Link
Rok uplatnění
Jimp - Článek v periodiku v databázi Web of Science
Výsledek na webu
The role of ab initio electronic structure calculations in studies of the strength of materials
-principles) electronic structure calculations to the problem of theoretical tensile researchon this subject. We then describe briefly the electronic structure calculational and therole of ab init...
CF - Fyzikální chemie a teoretická chemie
- 2004 •
- Jx
Rok uplatnění
Jx - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)
Isogeometric analysis in electronic structure calculations
Isogemetric analysis is tested in electronic structure calculations within density-functionional framework. The technique of Bezier extraction is used for adding the isogeometric analysis capabilities to finite element code...
JJ - Ostatní materiály
- 2014 •
- O
Rok uplatnění
O - Ostatní výsledky
Application of ab initio electronic structure calculations to grain boundary structure.
State-of-the-art electronic structure methods are briefly characterized and their application to electronic structure of certain grain boundaries in tungsten and iron as well as to magnetic behaviour of Ru and Rh o...
BM - Fyzika pevných látek a magnetismus
- 2001 •
- D
Rok uplatnění
D - Stať ve sborníku
Electronic structure and magnetism of NpTAl (T = Co, Ni, Rh, Ir and Pt) and NpNiGa from first-principles calculations
Electronic structure and magnetism of NpTAl (T = Co, Ni, Rh, Ir and Pt) and NpNiGa from first-principles calculations...
BM - Fyzika pevných látek a magnetismus
- 2008 •
- Jx
Rok uplatnění
Jx - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)
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