The Exchange-Correlation Potential in the Adiabatic-Connection Fluctuation-Dissipation Framework
As shown in the previous chapter, time-dependent DFT – which is basically an excited-state theory – also provides useful insight into the ground-state properties. Indeed, non-local approximations for the correlation energy Ec[n] can be built upon TDDFT using the adiabatic connection and fluctuation dissipation (ACFD) theorems [Langreth 1975, Langreth 1977].
KeywordsBandgap Energy Correlation Energy Orbital Relaxation Coulomb Hole Adiabatic Connection
Unable to display preview. Download preview PDF.