Time-dependent density-functional theory beyond the local-density approximation |
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Authors: | Tao Jianmin Vignale Giovanni |
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Affiliation: | Department of Physics, University of Missouri-Columbia, Columbia, Missouri 65211, USA. |
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Abstract: | Approximations for the ground-state exchange-correlation potential of density-functional theory have reached a high level of sophistication. By contrast, time- or frequency-dependent exchange-correlation potentials are still being treated in a local approximation. Here we propose a novel approximation scheme, which effectively brings the power of the generalized gradient approximation (GGA) and meta-GGA to time-dependent density-functional theory. The theory should allow a more accurate treatment of strongly inhomogeneous electronic systems (e.g. molecular junctions) while remaining essentially exact for slowly varying densities and slowly varying external potentials. |
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