# Assessment of correlation energies based on the random-phase approximation

@article{Paier2012AssessmentOC, title={Assessment of correlation energies based on the random-phase approximation}, author={Joachim A. Paier and Xinguo Ren and Patrick Rinke and Gustavo E. Scuseria and Andreas Grueneis and Georg Kresse and Matthias Scheffler}, journal={New Journal of Physics}, year={2012}, volume={14}, pages={043002} }

The random-phase approximation to the ground state correlation energy (RPA) in combination with exact exchange (EX) has brought the Kohn-Sham (KS) density functional theory one step closer towards a universal, 'general purpose first-principles method'. In an effort to systematically assess the influence of several correlation energy contributions beyond RPA, this paper presents dissociation energies of small molecules and solids, activation energies for hydrogen transfer and non-hydrogen…

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## 103 Citations

Short-range second order screened exchange correction to RPA correlation energies.

- Physics, MedicineThe Journal of chemical physics
- 2017

This work introduces a short-range RPA + SOSEX correction, which delivers more accurate absolute correlation energies and also improves upon RPA for non-isogyric processes.

Performance and Scope of Perturbative Corrections to Random-Phase Approximation Energies.

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P perturbation theory can systematically correct RPA but only for systems and properties qualitatively well captured by RPA, as indicated by small α̅ values.

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- Physics, MedicineThe Journal of chemical physics
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Numerical results show that the RPA-like functional with SOSEX correction can be used as a practical implicit current density functional when current effects should be included.

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Based on the random phase approximation (RPA), RPA renormalization [J. E. Bates and F. Furche, J. Chem. Phys. 139, 171103 (2013)] is a robust many-body perturbation theory that works for molecules…

Reducing the many-electron self-interaction error in the second-order screened exchange method.

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The dsSOSEX method provides a better description of medium- and long-range correlation, it generally leads to more accurate energetics than the seSOSex method, hence it should be preferred over the latter.

Construction and application of a new dual-hybrid random phase approximation.

- Chemistry, MedicineJournal of chemical theory and computation
- 2015

It is shown that a universally accurate description of chemical properties can be provided by a large, 75% exact exchange mixing both in the calculation of the reference orbitals and the final energy.

Accurate Complete Basis Set Extrapolation of Direct Random Phase Correlation Energies.

- Computer Science, MedicineJournal of chemical theory and computation
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This paper addresses the slow convergence of the calculated dRPA correlation energy with the increase of the quality and size of the popular Gaussian-type Dunning's correlation consistent aug-cc-pVXZ split valence atomic basis set family, and shows that the optimal exponent depends on the molecular structure.

Beyond the RPA and GW methods with adiabatic xc-kernels for accurate ground state and quasiparticle energies

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We review the theory and application of adiabatic exchange–correlation (xc)-kernels for ab initio calculations of ground state energies and quasiparticle excitations within the frameworks of the…

Chemical accuracy with σ-functionals for the Kohn-Sham correlation energy optimized for different input orbitals and eigenvalues.

- MedicineThe Journal of chemical physics
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Two new type of orbital-dependent functional for the Kohn-Sham (KS) correlation energy, σ-functionals using input orbitals and eigenvalues from the meta-GGA TPSS and the hybrids PBE0 and B3LYP are presented and tested.

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