Nonuniqueness of magnetic fields and energy derivatives in spin-polarized density functional theory.
Research
RF Safe Research Library
Jan 1, 2009
This theoretical paper analyzes consequences of nonuniqueness of the external magnetic field B(r) in spin-polarized density functional theory. It reports that for ground states the energy functional is not differentiable with respect to spin density, but one-sided derivatives can exist. The work links these one-sided…