Sökning: "Christian Göransson Asker"

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  1. 1. First-Principles calculations of Core-Level shifts in random metallic alloys: The Transition State Approach

    Uppsats för yrkesexamina på grundnivå, Institutionen för fysik, kemi och biologi

    Författare :Christian Göransson (Asker); [2004]
    Nyckelord :Theoretical physics; Density-functional theory; Random Alloys; Coherent-Potential Approximation; Transition-State model; Complete Screening; Teoretisk fysik;

    Sammanfattning : The overall aim of this thesis is to compare different methods for calculation of Core-Level shifts in metallic alloys. The methods compared are the Initial State model, the Complete screening and the Transition state model. Core-level shifts can give information of chemical bonding and about the electronic structure in solids. LÄS MER