Development of new exchange-correlation functionals

The primary aim is to participate in the development of more accurate and fully non-empirical approximations of the exchangecorrelation energy (in approximate terms, the energy associated with quantum mechanical effects) of electronic quantum mechanical s ystems. More accurate approximations would be of great importance to solid-state physics and chemistry, as it would be possible to calculate properties and reactions with greater accuracy and certainty. This development would be of special interest to che mical and metallurgical industry, e.g. Elkem, Norsk Hydro and Raufoss, as good calculational tools would facilitate development of materials tailored for specific needs.