A simple DFT-based diagnostic for nondynamical correlation

A simple DFT-based diagnostic for nondynamical correlation

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http://www.wikidata.org/entity/Q58738527
Toward a W4-F12 approach: Can explicitly correlated and orbital-based ab initio CCSD(T) limits be reconciled?Why are GGAs so accurate for reaction kinetics on surfaces? Systematic comparison of hybrid vs. nonhybrid DFT for representative reactions.Can Kohn-Sham density functional theory predict accurate charge distributions for both single-reference and multi-reference molecules?Tin-carbon clusters and the onset of microscopic level immiscibility: Experimental and computational study.The electronic structure of vanadium monochloride cation (VCl(+)): tackling the complexities of transition metal species.Revisiting the thermochemistry of chlorine fluorides.W4-17: A diverse and high-confidence dataset of atomization energies for benchmarking high-level electronic structure methods.Spin-component-scaled double hybrids: An extensive search for the best fifth-rung functionals blending DFT and perturbation theory.A practicable real-space measure and visualization of static electron-correlation effects.Heats of formation of the amino acids re-examined by means of W1-F12 and W2-F12 theoriesMeasuring multi-configurational character by orbital entanglementThe eight-valence-electron systems re-examined: convergence of the coupled-cluster series and performance of quasiperturbative methods for quadruple excitationsExplicitly correlated coupled cluster benchmarks with realistic-sized ligands for some late-transition metal reactions: basis sets convergence and performance of more approximate methods
P2860

A simple DFT-based diagnostic for nondynamical correlation

Item
http://www.wikidata.org/entity/Q58738527
description
im Dezember 2012 veröffentlichter wissenschaftlicher Artikel
@de
wetenschappelijk artikel
@nl
наукова стаття, опублікована в грудні 2012
@uk
name
A simple DFT-based diagnostic for nondynamical correlation
@en
A simple DFT-based diagnostic for nondynamical correlation
@nl
type
label
A simple DFT-based diagnostic for nondynamical correlation
@en
A simple DFT-based diagnostic for nondynamical correlation
@nl
prefLabel
A simple DFT-based diagnostic for nondynamical correlation
@en
A simple DFT-based diagnostic for nondynamical correlation
@nl
P1433
P1476
P2093
P2860
P2888
P31
P356
P433
P478
P50
P577
P921
P356
P1433
P1476
A simple DFT-based diagnostic for nondynamical correlation
@en
P2093
P2860
P2888
P31
P356
P433
P478
P50
P577
P921