Frequency-dependentv-representability in density-functional theory
- 1 June 1987
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review A
- Vol. 35 (11) , 4796-4799
- https://doi.org/10.1103/physreva.35.4796
Abstract
In density-functional theory (DFT) of the ground state, a density distribution (r) is called v-representable (VR) if it is the ground-state density in some external potential. [It is known that not all ‘‘reasonable’’ (r) are VR.] In DFT of time-dependent linear response of a nondegenerate ground state, a similar question arises: Is a response density, (r,ω), VR, i.e., is it the response to some perturbing potential (r,ω) [E.K.U. Gross and W. Kohn, Phys. Rev. Lett. 55, 2850 (1985)]? In the present paper we show that (1) if the frequency ω< (the lowest excitation frequency), the answer is affirmative; and (2) if ω>, the answer is not necessarily affirmative, as demonstrated by counterexamples. [We exhibit ‘‘reasonable’’ functions (r,ω) which, at isolated frequencies, are not VR.] Implications for time-dependent DFT of linear response are discussed.
Keywords
This publication has 3 references indexed in Scilit:
- Local density-functional theory of frequency-dependent linear responsePhysical Review Letters, 1985
- -Representability and Density Functional TheoryPhysical Review Letters, 1983
- Electron densities in search of HamiltoniansPhysical Review A, 1982