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Quantal Density Functional Theory: Wave Function Arbitrariness Of The Noninteracting Fermion Model, Viraht Sahni, Marlina Slamet

Physics Faculty Publications

In quantal density functional theory (Q-DFT), the mapping from either a ground or excited state of the interacting system to one of noninteracting fermions with equivalent density is such that the state of the latter model S system is arbitrary. Thus, in principle, there are an infinite number of local (multiplicative) effective potential energy functions that can reproduce the density of the interacting system. In the present work, we note that there is also an arbitrariness in the wave function of the model fermions when the S system is constructed in an excited state. Different wave functions lead to the …