%0 Journal Article %1 Thiele2009 %A Thiele, M. %A Kummel, S. %D 2009 %I APS %J Physical Review A (Atomic, Molecular, and Optical Physics) %K atoms correlations; density electron functional helium neutral theory; %N 1 %P 012514 %R 10.1103/PhysRevA.80.012514 %T Reconstructing the adiabatic exchange-correlation kernel of time-dependent density-functional theory %U http://link.aps.org/abstract/PRA/v80/e012514 %V 80 %X The interacting and the Kohn-Sham static density-density response functions for different one-dimensional two-electron singlet systems are reconstructed numerically. From their inverse we obtain the exact static exchange-correlation kernel. This quantity represents the adiabatically exact approximation of the frequency-dependent exchange-correlation kernel that is crucial for time-dependent linear density-response theory. We investigate its performance for nonlocal perturbations and analyze its sum rule properties. We also compute the adiabatically exact transition energies that follow from the static kernel within linear-response theory.

@article{Thiele2009, abstract = {The interacting and the Kohn-Sham static density-density response functions for different one-dimensional two-electron singlet systems are reconstructed numerically. From their inverse we obtain the exact static exchange-correlation kernel. This quantity represents the adiabatically exact approximation of the frequency-dependent exchange-correlation kernel that is crucial for time-dependent linear density-response theory. We investigate its performance for nonlocal perturbations and analyze its sum rule properties. We also compute the adiabatically exact transition energies that follow from the static kernel within linear-response theory.}, added-at = {2010-01-22T12:15:18.000+0100}, author = {Thiele, M. and Kummel, S.}, biburl = {https://www.bibsonomy.org/bibtex/20558148c1794aae844c22944ceb2109f/myrta}, description = {Time dependent density functional theory; Memory effects kernel; breakdown adiabatic approximation}, doi = {10.1103/PhysRevA.80.012514}, eid = {012514}, file = {:/home/cfc/myrta/VirtualLibrary/MemoryKernel/PhysRevA_80_012514.pdf:PDF}, interhash = {a016f16a786f9d6e90ac6822057ed018}, intrahash = {0558148c1794aae844c22944ceb2109f}, journal = {Physical Review A (Atomic, Molecular, and Optical Physics)}, keywords = {atoms correlations; density electron functional helium neutral theory;}, number = 1, numpages = {12}, pages = 012514, publisher = {APS}, timestamp = {2010-01-22T12:15:22.000+0100}, title = {Reconstructing the adiabatic exchange-correlation kernel of time-dependent density-functional theory}, url = {http://link.aps.org/abstract/PRA/v80/e012514}, volume = 80, year = 2009 }