Time-dependent density-functional theory for strongly interacting electrons
Cort Barrada, L., Karlsson, D., Lani, G., & van Leeuwen, R. (2017). Time-dependent density-functional theory for strongly interacting electrons. Physical Review A, 95(4), Article 042505. https://doi.org/10.1103/PhysRevA.95.042505
Julkaistu sarjassa
Physical Review APäivämäärä
2017Tekijänoikeudet
© 2017 American Physical Society. Published in this repository with the kind permission of the publisher.
We consider an analytically solvable model of two interacting electrons that allows for the calculation of
the exact exchange-correlation kernel of time-dependent density functional theory. This kernel, as well as the
corresponding density response function, is studied in the limit of large repulsive interactions between the electrons
and we give analytical results for these quantities as an asymptotic expansion in powers of the square root of
the interaction strength. We find that in the strong interaction limit the three leading terms in the expansion
of the kernel act instantaneously while memory terms only appear in the next orders. We further derive an
alternative expansion for the kernel in the strong interaction limit on the basis of the theory developed previously
[Phys. Chem. Chem. Phys. 18, 21092 (2016)] using the formalism of strictly correlated electrons in the adiabatic
approximation. We find that the first two leading terms in this series, corresponding to the strictly correlated limit
and its zero-point vibration correction, coincide with the two leading terms of the exact expansion. We finally
analyze the spatial nonlocality of these terms and show when the adiabatic approximation breaks down. The
ability to reproduce the exact kernel in the strong interaction limit indicates that the adiabatic strictly correlated
electron formalism is useful for studying the density response and excitation properties of other systems with
strong electronic interactions.
...
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American Physical SocietyISSN Hae Julkaisufoorumista
2469-9926Julkaisu tutkimustietojärjestelmässä
https://converis.jyu.fi/converis/portal/detail/Publication/26981097
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