R.K. Nesbet
International Journal of Quantum Chemistry
The existence of a ground-state density functional for the kinetic energy of an N-electron system implied the existence of a density-functional derivative equivalent to a local potential function. No conflict was found between standard variational theory in the orbital-functional derivation and formal results of functional analysis. The Hohenberg-Kohn theorems ensured that variational energy was minimized by the ground-state density associated with a given external potential. The results showed that a density-functional derivative does exist for more than two electrons but has the mathematical character of a linear operator that acts on orbital wave functions.
R.K. Nesbet
International Journal of Quantum Chemistry
R.K. Nesbet
Computer Physics Communications
R.K. Nesbet, Stephane Mazevet, et al.
Physical Review A. Atomic, Molecular, and Optical Physics
R.K. Nesbet
Physical Review B