Täthetsfunktionalteori (DFT) II
On completion of the course, the student should be able to
Functionals, Numerical Quadrature, basis set superposition error, self-consistency, Hartree-Fock, Perdew-Burke-Ernzerhof-funktionalen (PBE), lokala täthetsapproximation (LDA), Fockian, Density matrix, Exchange-correlation energy/functional/matrix
Lectures and computer labs.
Hand in assignment in the form of a computer program.
week 13, 2015
Find in the library
1. ed., rev.:
Read more about cookies.