Describing static correlation in bond dissociation by Kohn-Sham density functional theory.
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Correlation potentials for molecular bond dissociation within the self-consistent random phase approximation.The ground state correlation energy of the random phase approximation from a ring coupled cluster doubles approach.Long-range-corrected hybrid density functionals including random phase approximation correlation: application to noncovalent interactions.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.A simple but fully nonlocal correction to the random phase approximation.Equivalence of particle-particle random phase approximation correlation energy and ladder-coupled-cluster doubles.Communication: Random phase approximation renormalized many-body perturbation theory.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.Electronic structures and spin topologies of gamma-picoliniumyl radicals. A study of the homolysis of N-methyl-gamma-picolinium and of benzo-, dibenzo-, and naphthoannulated analogs.Random phase approximation with second-order screened exchange for current-carrying atomic states.Energy Ordering of Molecular Orbitals.Unexpectedly high pressure for molecular dissociation in liquid hydrogen by electronic simulation.Exchange-Correlation Functionals via Local Interpolation along the Adiabatic ConnectionReference electronic structure calculations in one dimension.Time-dependent density functional theory: past, present, and future.Self-consistent Kohn-Sham method based on the adiabatic-connection fluctuation-dissipation theorem and the exact-exchange kernel.Simple Fully Nonlocal Density Functionals for Electronic Repulsion Energy.Orbital optimized double-hybrid density functionals.Electronic structure and molecular dynamics of breaking the RO-NO2 bond.Developing the random phase approximation into a practical post-Kohn-Sham correlation model.Adiabatic connection for strictly correlated electrons.Adiabatic connection forms in density functional theory: H2 and the He isoelectronic series.Multiconfiguration optimized effective potential method for a density-functional treatment of static correlation.Short-range second order screened exchange correction to RPA correlation energies.Interpolated energy densities, correlation indicators and lower bounds from approximations to the strong coupling limit of DFT.Embedding for bulk systems using localized atomic orbitals.Role of exact exchange in thermally-assisted-occupation density functional theory: A proposal of new hybrid schemes.Assessing Density Functionals Using Many Body Theory for Hybrid Perovskites.Bond breaking and bond formation: how electron correlation is captured in many-body perturbation theory and density-functional theory.Singles correlation energy contributions in solids.Stability conditions for exact-exchange Kohn-Sham methods and their relation to correlation energies from the adiabatic-connection fluctuation-dissipation theorem.Communication: the description of strong correlation within self-consistent Green's function second-order perturbation theory.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.Correlation energy functional and potential from time-dependent exact-exchange theory.Exact Kohn-Sham potential of strongly correlated finite systems.
P2860
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P2860
Describing static correlation in bond dissociation by Kohn-Sham density functional theory.
description
2005 nî lūn-bûn
@nan
2005 թուականի Մարտին հրատարակուած գիտական յօդուած
@hyw
2005 թվականի մարտին հրատարակված գիտական հոդված
@hy
2005年の論文
@ja
2005年論文
@yue
2005年論文
@zh-hant
2005年論文
@zh-hk
2005年論文
@zh-mo
2005年論文
@zh-tw
2005年论文
@wuu
name
Describing static correlation ...... ham density functional theory.
@en
type
label
Describing static correlation ...... ham density functional theory.
@en
prefLabel
Describing static correlation ...... ham density functional theory.
@en
P2093
P2860
P356
P1476
Describing static correlation ...... ham density functional theory.
@en
P2093
P2860
P304
P356
10.1063/1.1858371
P407
P50
P577
2005-03-01T00:00:00Z
P5875
P698
P818
cond-mat/0410482