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4 results in Keywords: strong correlations

Theoretical and Computational Chemistry

Dynamic correlation driven paramagnetic insulating state and optical properties of the cathode material rhombohedral LiNiO2 at room temperature

Hrishit Banerjee, Markus Aichhorn, Clare P. Grey, Andrew J. Morris

Version 1 posted 22 April 2024

289

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1

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Theoretical and Computational Chemistry

Exact entanglement correlation complements the chemical bond description

Józef Spałek, Maciej Hendzel, Piotr Kuterba

Version 1 posted 22 November 2024

38

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Theoretical and Computational Chemistry

Strong Correlation and Charge Localization in Kohn-Sham Theories with Fractional Orbital Occupations: The Role of the Potential

Maria Hellgren, Tim Gould

Version 2 posted 22 August 2019

1,049

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Theoretical and Computational Chemistry

Range-Separation and the Multiple Radii Functional Approximation Inspired by the Strongly Interacting Limit of Density Functional Theory

Stefan Vuckovic, Tim Gould

Version 1 posted 27 August 2019

647

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