Electron correlation in solids via density embedding theory

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

(2014) Axel D. Becke   JOURNAL OF CHEMICAL PHYSICS

First Multireference Correlation Treatment of Bulk Metals

(2014) Elena Voloshina et al.   Journal of Chemical Theory and Computation

Intermediate and spin-liquid phase of the half-filled honeycomb Hubbard model

(2014) Qiaoni Chen et al.   PHYSICAL REVIEW B

Density matrix embedding from broken symmetry lattice mean fields

(2014) Ireneusz W. Bulik et al.   PHYSICAL REVIEW B

Heteroepitaxial Growth of Two-Dimensional Hexagonal Boron Nitride Templated by Graphene Edges

(2014) L. Liu et al.   SCIENCE

Multi-component symmetry-projected approach for molecular ground state correlations

(2013) Carlos A. Jiménez-Hoyos et al.   JOURNAL OF CHEMICAL PHYSICS

Density Matrix Embedding: A Strong-Coupling Quantum Embedding Theory

(2013) Gerald Knizia et al.   Journal of Chemical Theory and Computation

Hybrid functionals for solids with an optimized Hartree–Fock mixing parameter

(2013) David Koller et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Structural phase transitions of the metal oxide perovskites SrTiO3, LaAlO3, and LaTiO3studied with a screened hybrid functional

(2013) Fedwa El-Mellouhi et al.   PHYSICAL REVIEW B

Multireference symmetry-projected variational approaches for ground and excited states of the one-dimensional Hubbard model

(2013) R. Rodríguez-Guzmán et al.   PHYSICAL REVIEW B

Noncollinear density functional theory having proper invariance and local torque properties

(2013) Ireneusz W. Bulik et al.   PHYSICAL REVIEW B

Perspective on density functional theory

(2012) Kieron Burke   JOURNAL OF CHEMICAL PHYSICS

Improved semiconductor lattice parameters and band gaps from a middle-range screened hybrid exchange functional

(2012) M J Lucero et al.   JOURNAL OF PHYSICS-CONDENSED MATTER

Towards an exact description of electronic wavefunctions in real solids

(2012) George H. Booth et al.   NATURE

Density Matrix Embedding: A Simple Alternative to Dynamical Mean-Field Theory

(2012) Gerald Knizia et al.   PHYSICAL REVIEW LETTERS

Maximally localized Wannier functions: Theory and applications

(2012) Nicola Marzari et al.   REVIEWS OF MODERN PHYSICS

Screened hybrid and self-consistentGWcalculations of cadmium/magnesium indium sulfide materials

(2011) Melissa J. Lucero et al.   PHYSICAL REVIEW B

Density-based mixing parameter for hybrid functionals

(2011) Miguel A. L. Marques et al.   PHYSICAL REVIEW B

Second-order Møller–Plesset perturbation theory applied to extended systems. II. Structural and energetic properties

(2010) Andreas Grüneis et al.   JOURNAL OF CHEMICAL PHYSICS

Communications: Explicitly correlated second-order Møller–Plesset perturbation method for extended systems

(2010) Toru Shiozaki et al.   JOURNAL OF CHEMICAL PHYSICS

Second-order Mo̸ller–Plesset perturbation theory applied to extended systems. I. Within the projector-augmented-wave formalism using a plane wave basis set

(2009) M. Marsman et al.   JOURNAL OF CHEMICAL PHYSICS

Fast second-order many-body perturbation method for extended systems

(2009) So Hirata et al.   PHYSICAL REVIEW B

Fast electron-correlation methods for molecular crystals: An application to the α, β1, and β2 modifications of solid formic acid

(2008) So Hirata   JOURNAL OF CHEMICAL PHYSICS

Restoring the Density-Gradient Expansion for Exchange in Solids and Surfaces

(2008) John P. Perdew et al.   PHYSICAL REVIEW LETTERS

Insights into Current Limitations of Density Functional Theory

(2008) A. J. Cohen et al.   SCIENCE