Random-phase-approximation-based correlation energy functionals: benchmark results for atoms.
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Communication: Beyond the random phase approximation on the cheap: improved correlation energies with the efficient "radial exchange hole" kernel.Fast computation of molecular random phase approximation correlation energies using resolution of the identity and imaginary frequency integration.Third-order corrections to random-phase approximation correlation energies.Increasing the applicability of density functional theory. II. Correlation potentials from the random phase approximation and beyond.Basis set convergence of molecular correlation energy differences within the random phase approximation.BiOCl-assisted photodegradation of Rhodamine B under white light and monochromatic green pulsed laser irradiation.Electron affinities and ionisation potentials for atoms via "benchmark" tdDFT calculations with and without exchange kernels.Communication: Random phase approximation renormalized many-body perturbation theory.A computationally efficient double hybrid density functional based on the random phase approximation.Communication: An effective linear-scaling atomic-orbital reformulation of the random-phase approximation using a contracted double-Laplace transformation.First-principles study of relative stability of rutile and anatase TiO2 using the random phase approximation.Random phase approximation with second-order screened exchange for current-carrying atomic states.Self-consistent Kohn-Sham method based on the adiabatic-connection fluctuation-dissipation theorem and the exact-exchange kernel.Linear-scaling implementation of the direct random-phase approximation.Developing the random phase approximation into a practical post-Kohn-Sham correlation model.Stability conditions for exact-exchange Kohn-Sham methods and their relation to correlation energies from the adiabatic-connection fluctuation-dissipation theorem.Efficient self-consistent treatment of electron correlation within the random phase approximation.Resolution of identity approach for the Kohn-Sham correlation energy within the exact-exchange random-phase approximation.Correct description of the bond dissociation limit without breaking spin symmetry by a random-phase-approximation correlation functional.Beyond the random-phase approximation for the electron correlation energy: the importance of single excitations.Hubbard-Ucorrected Hamiltonians for non-self-consistent random-phase approximation total-energy calculations: A study of ZnS,TiO2, and NiOMolecular bonding with the RPAx: From weak dispersion forces to strong correlationCorrelation energy within exact-exchange adiabatic connection fluctuation-dissipation theory: Systematic development and simple approximationsElectron correlation methods based on the random phase approximation
P2860
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P2860
Random-phase-approximation-based correlation energy functionals: benchmark results for atoms.
description
2007 nî lūn-bûn
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2007年の論文
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2007年学术文章
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2007年学术文章
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2007年学术文章
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2007年学术文章
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name
Random-phase-approximation-bas ...... : benchmark results for atoms.
@en
Random-phase-approximation-bas ...... : benchmark results for atoms.
@nl
type
label
Random-phase-approximation-bas ...... : benchmark results for atoms.
@en
Random-phase-approximation-bas ...... : benchmark results for atoms.
@nl
prefLabel
Random-phase-approximation-bas ...... : benchmark results for atoms.
@en
Random-phase-approximation-bas ...... : benchmark results for atoms.
@nl
P2860
P356
P1476
Random-phase-approximation-bas ...... : benchmark results for atoms.
@en
P2093
Eberhard Engel
Hong Jiang
P2860
P304
P356
10.1063/1.2795707
P407
P577
2007-11-01T00:00:00Z