TY - JOUR
T1 - Implicit density-functional theory
AU - Liu, Bin
AU - Percus, Jerome K.
PY - 2006
Y1 - 2006
N2 - A fermion ground state energy functional is set up in terms of particle density, relative pair density, and kinetic energy tensor density. It satisfies a minimum principle if constrained by a complete set of compatibility conditions. A partial set, which thereby results in a lower bound energy under minimization, is obtained from the solution of model systems, as well as a small number of exact sum rules. Prototypical application is made to several one-dimensional spinless noninteracting models. The effectiveness of "atomic" constraints on model "molecules" is observed, as well as the structure of systems with only finitely many bound states.
AB - A fermion ground state energy functional is set up in terms of particle density, relative pair density, and kinetic energy tensor density. It satisfies a minimum principle if constrained by a complete set of compatibility conditions. A partial set, which thereby results in a lower bound energy under minimization, is obtained from the solution of model systems, as well as a small number of exact sum rules. Prototypical application is made to several one-dimensional spinless noninteracting models. The effectiveness of "atomic" constraints on model "molecules" is observed, as well as the structure of systems with only finitely many bound states.
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U2 - 10.1103/PhysRevA.74.012508
DO - 10.1103/PhysRevA.74.012508
M3 - Article
AN - SCOPUS:33746368856
SN - 1050-2947
VL - 74
JO - Physical Review A - Atomic, Molecular, and Optical Physics
JF - Physical Review A - Atomic, Molecular, and Optical Physics
IS - 1
M1 - 012508
ER -