Molecular tests of the random phase approximation to the exchange-correlation energy functional
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Asymptotics of the Dispersion Interaction: Analytic Benchmarks for van der Waals Energy FunctionalsMoment expansion of the linear density-density response function.Correlation potentials for molecular bond dissociation within the self-consistent random phase approximation.Communication: Beyond the random phase approximation on the cheap: improved correlation energies with the efficient "radial exchange hole" kernel.Describing static correlation in bond dissociation by Kohn-Sham density functional theory.Fluctuation-dissipation theorem density-functional theory.Long-range-corrected hybrids including random phase approximation correlation.Long-range-corrected hybrid density functionals including random phase approximation correlation: application to noncovalent interactions.Coulomb-only second-order perturbation theory in long-range-corrected hybrid density functionals.A first-principles study of weakly bound molecules using exact exchange and the random phase approximation.Hybrid functionals including random phase approximation correlation and second-order screened exchange.The role of the reference state in long-range random phase approximation correlation.Fast computation of molecular random phase approximation correlation energies using resolution of the identity and imaginary frequency integration.Range-separated density-functional theory with random phase approximation applied to noncovalent intermolecular interactions.On the equivalence of ring-coupled cluster and adiabatic connection fluctuation-dissipation theorem random phase approximation correlation energy expressions.Power series expansion of the random phase approximation correlation energy: The role of the third- and higher-order contributions.Alkane adsorption in Na-exchanged chabazite: the influence of dispersion forces.A simple but fully nonlocal correction to the random phase approximation.Third-order corrections to random-phase approximation correlation energies.Basis set convergence of molecular correlation energy differences within the random phase approximation.Van der Waals interactions between hydrocarbon molecules and zeolites: periodic calculations at different levels of theory, from density functional theory to the random phase approximation and Møller-Plesset perturbation theory.Prescription for the design and selection of density functional approximations: more constraint satisfaction with fewer fits.Electron affinities and ionisation potentials for atoms via "benchmark" tdDFT calculations with and without exchange kernels.Equivalence of particle-particle random phase approximation correlation energy and ladder-coupled-cluster doubles.Particle-particle and quasiparticle random phase approximations: connections to coupled cluster theory.Communication: Random phase approximation renormalized many-body perturbation theory.Benchmark tests and spin adaptation for the particle-particle random phase approximation.Kohn-Sham band gaps and potentials of solids from the optimised effective potential method within the random phase approximation.Static correlation beyond the random phase approximation: dissociating H2 with the Bethe-Salpeter equation and time-dependent GW.Exchange-correlation energy from pairing matrix fluctuation and the particle-particle random phase approximation.Tensor hypercontracted ppRPA: reducing the cost of the particle-particle random phase approximation from O(r(6)) to O(r(4)).Restricted second random phase approximations and Tamm-Dancoff approximations for electronic excitation energy calculations.Spin-unrestricted random-phase approximation with range separation: Benchmark on atomization energies and reaction barrier heights.Probing the structural and dynamical properties of liquid water with models including non-local electron correlation.Adiabatic-connection fluctuation-dissipation DFT for the structural properties of solids-The renormalized ALDA and electron gas kernels.Insight into organic reactions from the direct random phase approximation and its corrections.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.Insights into the spurious long-range nature of local r-dependent non-local exchange-correlation kernels.Improving the accuracy of ground-state correlation energies within a plane-wave basis set: The electron-hole exchange kernel.
P2860
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P2860
Molecular tests of the random phase approximation to the exchange-correlation energy functional
description
im Oktober 2001 veröffentlichter wissenschaftlicher Artikel
@de
wetenschappelijk artikel
@nl
наукова стаття, опублікована в жовтні 2001
@uk
name
Molecular tests of the random ...... -correlation energy functional
@en
Molecular tests of the random ...... -correlation energy functional
@nl
type
label
Molecular tests of the random ...... -correlation energy functional
@en
Molecular tests of the random ...... -correlation energy functional
@nl
prefLabel
Molecular tests of the random ...... -correlation energy functional
@en
Molecular tests of the random ...... -correlation energy functional
@nl
P2860
P1433
P1476
Molecular tests of the random ...... -correlation energy functional
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P2860
P356
10.1103/PHYSREVB.64.195120
P407
P577
2001-10-19T00:00:00Z