TY - JOUR
T1 - Invertibility of retarded response functions for Laplace transformable potentials: Application to one-body reduced density matrix functional theory
AU - Giesbertz, K.J.H.
PY - 2015/8
Y1 - 2015/8
N2 - A theorem for the invertibility of arbitrary response functions is presented under the following conditions: the time dependence of the potentials should be Laplace transformable and the initial state should be a ground state, though it might be degenerate. This theorem provides a rigorous foundation for all density-functional-like theories in the time-dependent linear response regime. Especially for time-dependent one-body reduced density matrix (1RDM) functional theory, this is an important step forward, since a solid foundation has currently been lacking. The theorem is equally valid for static response functions in the non-degenerate case, so can be used to characterize the uniqueness of the potential in the ground state version of the corresponding density-functional-like theory. Such a classi cation of the uniqueness of the non-local potential in ground state 1RDM functional theory has been lacking for decades. With the aid of presented invertibility theorem presented here, a complete classi cation of the non-uniqueness of the non-local potential in 1RDM functional theory can be givenforthe rsttime
AB - A theorem for the invertibility of arbitrary response functions is presented under the following conditions: the time dependence of the potentials should be Laplace transformable and the initial state should be a ground state, though it might be degenerate. This theorem provides a rigorous foundation for all density-functional-like theories in the time-dependent linear response regime. Especially for time-dependent one-body reduced density matrix (1RDM) functional theory, this is an important step forward, since a solid foundation has currently been lacking. The theorem is equally valid for static response functions in the non-degenerate case, so can be used to characterize the uniqueness of the potential in the ground state version of the corresponding density-functional-like theory. Such a classi cation of the uniqueness of the non-local potential in ground state 1RDM functional theory has been lacking for decades. With the aid of presented invertibility theorem presented here, a complete classi cation of the non-uniqueness of the non-local potential in 1RDM functional theory can be givenforthe rsttime
UR - https://www.scopus.com/pages/publications/84938632788
UR - https://www.scopus.com/inward/citedby.url?scp=84938632788&partnerID=8YFLogxK
U2 - 10.1063/1.4927075
DO - 10.1063/1.4927075
M3 - Article
SN - 0021-9606
VL - 143
SP - 1
EP - 9
JO - Journal of Chemical Physics
JF - Journal of Chemical Physics
IS - 5
M1 - 054102
ER -