7 research outputs found
Response function analysis of excited-state kinetic energy functional constructed by splitting k-space
Over the past decade, fundamentals of time independent density functional
theory for excited state have been established. However, construction of the
corresponding energy functionals for excited states remains a challenging
problem. We have developed a method for constructing functionals for excited
states by splitting k-space according to the occupation of orbitals. In this
paper we first show the accuracy of kinetic energy functional thus obtained. We
then perform a response function analysis of the kinetic energy functional
proposed by us and show why method of splitting the k-space could be the method
of choice for construction of energy functionals for excited states.Comment: 11 page