Exchange and Correlation Kernels at the Resonance Frequency: Implications for Excitation Energies in Density-Functional Theory
- 31 May 1999
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review Letters
- Vol. 82 (22) , 4416-4419
- https://doi.org/10.1103/physrevlett.82.4416
Abstract
Specific matrix elements of exchange and correlation kernels in time-dependent density-functional theory are computed. The knowledge of these matrix elements not only constrains approximate time-dependent functionals. It also allows one to link different practical approaches to excited states, based either on density-functional theory or on many-body perturbation theory, despite the approximations that have been performed to derive them.Keywords
All Related Versions
This publication has 25 references indexed in Scilit:
- Exact exchange-correlation kernel for dynamic response properties and excitation energies in density-functional theoryPhysical Review A, 1998
- Molecular excitation energies to high-lying bound states from time-dependent density-functional response theory: Characterization and correction of the time-dependent local density approximation ionization thresholdThe Journal of Chemical Physics, 1998
- Exact exchange kernel for time-dependent density-functional theoryInternational Journal of Quantum Chemistry, 1998
- Excitation Energies from Time-Dependent Density-Functional TheoryPhysical Review Letters, 1996
- Extensions of the LSD approximation in density functional calculationsThe Journal of Chemical Physics, 1980
- The energy density functional formalism for excited statesJournal of Physics C: Solid State Physics, 1979
- On the calculation of multiplet energies by the hartree-fock-slater methodTheoretical Chemistry Accounts, 1977
- Exchange and correlation in atoms, molecules, and solids by the spin-density-functional formalismPhysical Review B, 1976
- Self-Consistent Equations Including Exchange and Correlation EffectsPhysical Review B, 1965
- Inhomogeneous Electron GasPhysical Review B, 1964