Adiabatic-connection fluctuation-dissipation DFT for the structural properties of solids—The renormalized ALDA and electron gas kernels

Evaluation of model exchange-correlation kernels in the adiabatic connection fluctuation-dissipation theorem for inhomogeneous systems

(2014) Deyu Lu   JOURNAL OF CHEMICAL PHYSICS

Kohn-Sham band gaps and potentials of solids from the optimised effective potential method within the random phase approximation

(2014) Jiří Klimeš et al.   JOURNAL OF CHEMICAL PHYSICS

Perspective: Fifty years of density-functional theory in chemical physics

(2014) Axel D. Becke   JOURNAL OF CHEMICAL PHYSICS

Generalized Gradient Approximation Correlation Energy Functionals Based on the Uniform Electron Gas with Gap Model

(2014) Eduardo Fabiano et al.   Journal of Chemical Theory and Computation

Ab initioself-consistent total-energy calculations within the EXX/RPA formalism

(2014) Ngoc Linh Nguyen et al.   PHYSICAL REVIEW B

PredictiveGWcalculations using plane waves and pseudopotentials

(2014) Jiří Klimeš et al.   PHYSICAL REVIEW B

Accurate Ground-State Energies of Solids and Molecules from Time-Dependent Density-Functional Theory

(2014) Thomas Olsen et al.   PHYSICAL REVIEW LETTERS

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

(2013) Thomas Olsen et al.   PHYSICAL REVIEW B

Random phase approximation applied to solids, molecules, and graphene-metal interfaces: From van der Waals to covalent bonding

(2013) Thomas Olsen et al.   PHYSICAL REVIEW B

Regularization of the Coulomb singularity in exact exchange by Wigner-Seitz truncated interactions: Towards chemical accuracy in nontrivial systems

(2013) Ravishankar Sundararaman et al.   PHYSICAL REVIEW B

Optical spectra of solids obtained by time-dependent density functional theory with the jellium-with-gap-model exchange-correlation kernel

(2013) Paolo E. Trevisanutto et al.   PHYSICAL REVIEW B

Symmetric Nonlocal Weighted Density Approximations from the Exchange-Correlation Hole of the Uniform Electron Gas

(2012) Rogelio Cuevas-Saavedra et al.   Journal of Chemical Theory and Computation

Random-phase approximation and its applications in computational chemistry and materials science

(2012) Xinguo Ren et al.   JOURNAL OF MATERIALS SCIENCE

Assessing modern GGA functionals for solids

(2012) Frédéric Labat et al.   JOURNAL OF MOLECULAR MODELING

Towards an exact description of electronic wavefunctions in real solids

(2012) George H. Booth et al.   NATURE

Correlation energies beyond the random-phase approximation: Inhomogeneous Singwi-Tosi-Land-Sjolander functional applied to spherical atoms and ions

(2012) Tim Gould et al.   PHYSICAL REVIEW A

Failure of the random-phase-approximation correlation energy

(2012) Paula Mori-Sánchez et al.   PHYSICAL REVIEW A

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

(2012) Thomas Olsen et al.   PHYSICAL REVIEW B

Range-Separated Approach to the RPA Correlation Applied to the van der Waals Bond and to Diffusion of Defects

(2012) Fabien Bruneval   PHYSICAL REVIEW LETTERS

A simple but fully nonlocal correction to the random phase approximation

(2011) Adrienn Ruzsinszky et al.   JOURNAL OF CHEMICAL PHYSICS

Correlation energy functional from jellium surface analysis

(2011) Lucian A. Constantin et al.   PHYSICAL REVIEW B

Adiabatic-connection-fluctuation-dissipation approach to long-range behavior of exchange-correlation energy at metal surfaces: A numerical study for jellium slabs

(2011) Lucian A. Constantin et al.   PHYSICAL REVIEW B

Linear density response function in the projector augmented wave method: Applications to solids, surfaces, and interfaces

(2011) Jun Yan et al.   PHYSICAL REVIEW B

Correct Description of the Bond Dissociation Limit without Breaking Spin Symmetry by a Random-Phase-Approximation Correlation Functional

(2011) Andreas Heßelmann et al.   PHYSICAL REVIEW LETTERS

Dispersive and Covalent Interactions between Graphene and Metal Surfaces from the Random Phase Approximation

(2011) Thomas Olsen et al.   PHYSICAL REVIEW LETTERS

Bootstrap Approximation for the Exchange-Correlation Kernel of Time-Dependent Density-Functional Theory

(2011) S. Sharma et al.   PHYSICAL REVIEW LETTERS

Hybrid functionals including random phase approximation correlation and second-order screened exchange

(2010) Joachim Paier et al.   JOURNAL OF CHEMICAL PHYSICS

Electronic structure calculations with GPAW: a real-space implementation of the projector augmented-wave method

(2010) J Enkovaara et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

The connection between self-interaction and static correlation: a random phase approximation perspective

(2010) Thomas M. Henderson et al.   MOLECULAR PHYSICS

Accurate surface and adsorption energies from many-body perturbation theory

(2010) L. Schimka et al.   NATURE MATERIALS

Assessing the quality of the random phase approximation for lattice constants and atomization energies of solids

(2010) Judith Harl et al.   PHYSICAL REVIEW B

Long-range-corrected hybrids including random phase approximation correlation

(2009) Benjamin G. Janesko et al.   JOURNAL OF CHEMICAL PHYSICS

Efficient calculation of exact exchange and RPA correlation energies in the adiabatic-connection fluctuation-dissipation theory

(2009) Huy-Viet Nguyen et al.   PHYSICAL REVIEW B

Adiabatic-Connection Fluctuation-Dissipation Density-Functional Theory Based on Range Separation

(2009) Julien Toulouse et al.   PHYSICAL REVIEW LETTERS

Ab initioCalculation of van der Waals Bonded Molecular Crystals

(2009) Deyu Lu et al.   PHYSICAL REVIEW LETTERS

Efficient Implementation of a van der Waals Density Functional: Application to Double-Wall Carbon Nanotubes

(2009) Guillermo Román-Pérez et al.   PHYSICAL REVIEW LETTERS

Linear density response function within the time-dependent exact-exchange approximation

(2008) Maria Hellgren et al.   PHYSICAL REVIEW B