Forschungsbereich Theoretische Chemie

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Organization Name (de) Name der Organisation (de)
E165-03 - Forschungsbereich Theoretische Chemie
 
Code Kennzahl
E165-03
 
Type of Organization Organisationstyp
Research Division
Parent OrgUnit Übergeordnete Organisation
 
Active Aktiv
 

SubOrgUnits

Results 1-2 of 2 (Search time: 0.002 seconds).

NameCountryRorId
E165-03-1 - Forschungsgruppe Theoretische Materialchemie
E165-03-2 - Forschungsgruppe Computational Materials Science - Home of WIEN2k

OrgUnit's Publications


Results 341-360 of 601 (Search time: 0.002 seconds).

PreviewAuthor(s)TitleTypeIssue Date
341Kabliman, Evgeniya Ab initio-based mean-field theory of the site occupation in the Fe-Cr σ-phasePräsentation Presentation2011
342Schwarz, Karlheinz How computations revolutionized our understanding of modern materialsPräsentation Presentation2010
343Blaha, Peter The WIEN2k program packagePräsentation Presentation2010
344Schwarz, Karlheinz Electronic Structure of Solids with WIEN2kPräsentation Presentation2010
345Blaha, Peter DFT based calculations of EELS using WIEN2kPräsentation Presentation2010
346Laskowski, Robert ; Blaha, Peter The calculations of the XANES L edges of 3d compoundsPräsentation Presentation2010
347Schwarz, Karlheinz ; Blaha, Peter Electronic structure of solids using WIEN2kPräsentation Presentation2010
348Laskowski, Robert Collinear and non-collinear Magnetism, relativistic effects in WIEN2kPräsentation Presentation2010
349Laskowski, Robert Calculations of L2,3 NEXAFS edgesPräsentation Presentation2010
350Blaha, Peter An overview of P07Präsentation Presentation2010
351Schwarz, Karlheinz Electronic structure of solids and surfaces studied with WIEN2kPräsentation Presentation2010
352Blaha, Peter Challenges of large-scale simulations with all-electron methodsPräsentation Presentation2010
353Blaha, Peter Electronic structure and atomic forces by WIEN2kPräsentation Presentation2010
354Blaha, Peter DFT functionals and their performance in solidsPräsentation Presentation2010
355Schwarz, Karlheinz DFT calculations with WIEN2kPräsentation Presentation2010
356Blaha, Peter Calculations of Hyperfine parameters in solids based on DFT and using WIEN2kPräsentation Presentation2010
357Blaha, Peter An overview of the WIEN2k packagePräsentation Presentation2010
358Schwarz, Karlheinz Density functional theory (DFT) and the concepts of the augmented-plane-wave plus local orbitals (APW+lo) methodPräsentation Presentation2010
359Blaha, Peter Materials science with WIEN2k: accuracy, efficiency and new featuresPräsentation Presentation2010
360Laskowski, Robert The calculations of the XANES L2,3 edges of 3d metalsPräsentation Presentation2010