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5 results in Keywords: Dynamic Correlation

Theoretical and Computational Chemistry

Revealing the Nature of Electron Correlation in Transition Metal Complexes with Symmetry-Breaking and Chemical Intuition

James Shee, Matthias Loipersberger, Diptarka Hait, Joonho Lee, Martin Head-Gordon

Version 1 posted 17 February 2021

428

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Physical Chemistry

Heterogeneous Pair Approximation of Methanol Oxidation on TiO2 Reveals Two Reaction Pathways

Changhae Andrew Kim, Troy Van Voorhis

Version 1 posted 18 November 2021

270

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Theoretical and Computational Chemistry

Capturing Static and Dynamic Correlation with ΔNO-MP2 and ΔNO-CCSD

joshua wallace hollett, Pierre-Francois Loos

Version 1 posted 28 August 2019

721

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Theoretical and Computational Chemistry

Small-occupation density functional correlation energy correction to wavefunction approximations

José Aarón Rodríguez-Jiménez, Abel Carreras, David Casanova

Version 1 posted 04 October 2023

193

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Theoretical and Computational Chemistry

FCIQMC–CASPT2 with Imaginary–Time–Averaged Wave Functions

Arta Safari, Robert Anderson, Ali Alavi, Giovanni Li Manni

Version 1 posted 01 November 2024

145

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