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Random phase approximation
About: Random phase approximation is a research topic. Over the lifetime, 4202 publications have been published within this topic receiving 83067 citations.
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TL;DR: In this article, the states of C 12 and O 16 were computed in the framework of the particle-hole model of nuclear excitations, using a finite range force, with an exchange mixture determined by a least square fit.
373 citations
TL;DR: In this paper, lattice constants, bulk moduli, and atomization energies of solids using the correlation energy evaluated within the adiabatic connection fluctuation-dissipation framework and applying the random-phase approximation are presented.
Abstract: We present lattice constants, bulk moduli, and atomization energies of solids using the correlation energy evaluated within the adiabatic connection fluctuation-dissipation framework and applying the random-phase approximation. Recently, we have shown [Phys. Rev. Lett. 103, 056401 (2009)] that geometrical properties and heats of formation are well described within this approximation. We extend this study to a larger set of materials and focus on the treatment of metals and the effect introduced by the frozen-core approximation.
368 citations
TL;DR: In this article, the bubble graph sum is shown to be the first term in an expansion in powers of 1/N for which the coefficients are arbitrary functions of NV / e, where V is the interaction strength and e is the level separation of the non-interacting system.
363 citations
Book•
23 Aug 2016
TL;DR: In this article, reduced density operators were used to estimate the mean field and the mean matrix of an EM field, and the spin statistics of the spin statistic was used to determine the distance to the ground truth.
Abstract: Introduction.- Reduced Density Operators.- Correlations due to the Spin Statistics.- Mean-Field Approximation.- Correlations and their Dynamics.- Non-Markovian Effects.- Kinetic Equations with Selfenergy.- Properties of the Kinetic Equation.- T-Matrix Approximation.- Random Phase Approximation.- Screened Ladder Approximation.- Charged Carriers in EM Fields.- Non-Equilibrium Green's Functions.- Kinetics vs. Molecular Dynamics.- Conclusion.
362 citations
TL;DR: Random phase approximation (RPA) is a promising post-Kohn-Sham method to treat electron correlation in molecules, surfaces, and solids as mentioned in this paper, and it has been applied to various molecular and solid-state properties, including relative energies of conformers, reaction energies involving weak and covalent interactions.
Abstract: In the past decade, the random phase approximation (RPA) has emerged as a promising post-Kohn–Sham method to treat electron correlation in molecules, surfaces, and solids. In this review, we explain how RPA arises naturally as a zero-order approximation from the adiabatic connection and the fluctuation-dissipation theorem in a density functional context. This is contrasted to RPA with exchange (RPAX) in a post-Hartree–Fock context. In both methods, RPA and RPAX, the correlation energy may be expressed as a sum over zero-point energies of harmonic oscillators representing collective electronic excitations, consistent with the physical picture originally proposed by Bohm and Pines. The extra factor 1/2 in the RPAX case is rigorously derived. Approaches beyond RPA are briefly summarized. We also review computational strategies implementing RPA. The combination of auxiliary expansions and imaginary frequency integration methods has lead to recent progress in this field, making RPA calculations affordable for systems with over 100 atoms. Finally, we summarize benchmark applications of RPA to various molecular and solid-state properties, including relative energies of conformers, reaction energies involving weak and covalent interactions, diatomic potential energy curves, ionization potentials and electron affinities, surface adsorption energies, bulk cohesive energies and lattice constants. RPA barrier heights for an extended benchmark set are presented. RPA is an order of magnitude more accurate than semi-local functionals such as B3LYP for non-covalent interactions rivaling the best empirically parametrized methods. Larger but systematic errors are observed for processes that do not conserve the number of electron pairs, such as atomization and ionization.
359 citations