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Projekt

Many Body Correlations in Realistic Electronic Sructure Calculations of Solids (ME 383)

within the density-functional method. Developed approximations will be appliedGoal of the project is to connect first-principles calculation approaches to the determination of the ground state of many-electron systems with effectiv...

BM - Fyzika pevných látek a magnetismus

  • 2000 - 2002
  • 1 905 tis. Kč
  • 555 tis. Kč
  • MŠMT
Projekt

f electrons - beyond local spin density approximation (IAA1010715)

Understanding the electronic structure is one of the main goals of solid state theorists. Until now almost all corresponding ab initio calculations have been based on the local spin density approximation (LSDA) which, however, fails...

BM - Fyzika pevných látek a magnetismus

  • 1997 - 2000
  • 1 217 tis. Kč
  • 345 tis. Kč
  • AV ČR
Projekt

Density and Statistical Properties of Molecular Levels (IAA400550511)

The objective is a physically correct description of the statistical properties of the bound ro-vibrational molecular states of polyatomic molecules undergoing unimolecular reorganizations (isomerizations). The aim is to explore prospects of the adia...

CF - Fyzikální chemie a teoretická chemie

  • 2005 - 2009
  • 1 133 tis. Kč
  • 1 133 tis. Kč
  • AV ČR
Projekt

Magnetic and spectroscopic properties of transition metal clusters (GA202/04/1440)

-relativisticspin-polarized multiple-scattering method within the local density approximation (LDA) to the density functional theory. Local densities of states, magnetic moments......

BM - Fyzika pevných látek a magnetismus

  • 2004 - 2006
  • 1 545 tis. Kč
  • 1 545 tis. Kč
  • GA ČR
Projekt

Theoretical analysis and chemical applications of pair density matrix. (IAA4072606)

The research project follows up with previos studies in which the applicant introduced a new original methodology for the analysis of pair densities based on their geminal expansion. The primary aim of the project is the methodological devel...

CF - Fyzikální chemie a teoretická chemie

  • 1996 - 1998
  • 659 tis. Kč
  • 269 tis. Kč
  • AV ČR
Projekt

Parameter estimation and structure optimization of multilayer perceptron networks in nonlinear system identification (GP102/06/P202)

of nonlinear stochastic systems due totheir ability to approximate continuous nonlinear parameterestimation methods providing conditional probability density functions suitable probability densities for structure optimizat...

BB - Aplikovaná statistika, operační výzkum

  • 2006 - 2008
  • 1 178 tis. Kč
  • 1 178 tis. Kč
  • GA ČR
Projekt

Itinerant magnetism and electronic transport in magnetic multilayers (GA202/00/0122)

standard total-energy calculations within the local spin-density approximation approximation (CPA) for systems with chemical and/or magnetic disorder. b) Transport......

BE - Teoretická fyzika

  • 2000 - 2002
  • 2 244 tis. Kč
  • 1 404 tis. Kč
  • GA ČR
Projekt

Probe diagnostic and simulation of the DC and afterglow discharge (GP202/01/D095)

are not experimentally verified in the full range of pressures and plasma densities and therefore in the pressure range up to approximately 1 kPa. The study ofthe plasma in the magnetic field magnetic field is perpendicular to the ...

BL - Fyzika plasmatu a výboje v plynech

  • 2001 - 2004
  • 685 tis. Kč
  • 579 tis. Kč
  • GA ČR
Projekt

Strong electron correlations in systems with spin-orbit coupling (GA13-25251S)

The interplay between the Coulomb interaction and the spin-orbit coupling leading to strong electron correlations will be studied by means of ab-initio calculations. To this end we employ the dynamical mean field theory on top of the band structure r...

BM - Fyzika pevných látek a magnetismus

  • 2013 - 2015
  • 2 145 tis. Kč
  • 2 145 tis. Kč
  • GA ČR
Projekt

Electron correlations and properties of solids (IAA1010203)

The aim of the project is to combine first-principles density-functional theory with the many-body techniques into a coherent framework for a systematic treatment of correlation effects in electronic structure calculations of solids. We wish...

BM - Fyzika pevných látek a magnetismus

  • 2002 - 2005
  • 3 393 tis. Kč
  • 1 055 tis. Kč
  • AV ČR
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