Extending the random-phase approximation for electronic correlation energies: The renormalized adiabatic local density approximation

Extending the random-phase approximation for electronic correlation energies: the renormalized adiabatic local density approximation

Beyond the random phase approximation Improved description of short-range correlation by a renormalized adiabatic local density approximation

Dielectric Matrix Formulation of Correlation Energies in the Random Phase Approximation: Inclusion of Exchange Effects.

Starting from the general expression for the ground state correlation energy in the adiabatic-connection fluctuation-dissipation theorem (ACFDT) framework, it is shown that the dielectric matrix formulation, which is usually applied to calculate the direct random phase approximation (dRPA) correlation energy, can be used for alternative RPA expressions including exchange effects. Within this fa...

Excitation energies from time-dependent density-functional theory beyond the adiabatic approximation.

Time-dependent density-functional theory in the adiabatic approximation has been very successful for calculating excitation energies in molecular systems. This paper studies nonadiabatic effects for excitation energies, using the current-density functional of Vignale and Kohn [Phys. Rev. Lett. 77, 2037 (1996)]. We derive a general analytic expression for nonadiabatic corrections to excitation e...

Density functional theory beyond the linear regime: Validating an adiabatic local density approximation

N. Helbig,1 J. I. Fuks,1 M. Casula,2 M. J. Verstraete,3,4 M. A. L. Marques,5,4 I. V. Tokatly,1,6 and A. Rubio1,7 1Nano-Bio Spectroscopy Group and ETSF Scientific Development Centre, Departamento Fı́sica de Materiales, Universidad del Paı́s Vasco, CFM CSIC-UPV/EHU-MPC and DIPC, Avenida Tolosa 72, E-20018 San Sebastián, Spain 2CNRS and Institut de Minéralogie et de Physique des Milieux Condensés, c...