Bootstrap Approximation for the Exchange-Correlation Kernel of Time-Dependent Density-Functional Theory
β Scribed by Sharma, S.; Dewhurst, J. K.; Sanna, A.; Gross, E. K. U.
- Book ID
- 120214701
- Publisher
- The American Physical Society
- Year
- 2011
- Tongue
- English
- Weight
- 341 KB
- Volume
- 107
- Category
- Article
- ISSN
- 0031-9007
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π SIMILAR VOLUMES
An exact expression for the exchange kernel of time-dependent densityfunctional theory, the frequency-dependent functional derivative of the exchange potential with respect to the density, is derived. The expression is simple enough to be applied in practice. A simple and transparent derivation of t
## Abstract The electronic absorption spectra of a range of copper and zinc complexes have been simulated by using timeβdependent density functional theory (TDβDFT) calculations implemented in Gaussian03. In total, 41 exchangeβcorrelation (XC) functionals including firstβ, secondβ, and thirdβgenera