Sökning: "four-component density functional theory"

Hittade 1 uppsats innehållade orden four-component density functional theory.

  1. 1. Dispersion forces in a four-component density functional theory framework

    Master-uppsats, Institutionen för fysik, kemi och biologi

    Författare :Robert Pilemalm; [2009]
    Nyckelord :Dispersion force; polarizability; four-component density functional theory; noble gases;

    Sammanfattning : The main purpose of this thesis is to implement the Gauss--Legendre quadrature for the dispersion coefficient. This has been done and can be now be made with different number of points. LÄS MER