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Theoretical and Computational Chemistry

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Equation-of-motion coupled-cluster theory

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2 results in Keywords: Equation-of-motion coupled-cluster theory

Theoretical and Computational Chemistry

Feshbach-Fano Approach for Calculation of Auger Decay Rates Using Equation-of-Motion Coupled-Cluster Wave Functions: Theory and Implementation

Wojciech Skomorowski, Anna Krylov

Version 1 posted 10 November 2020

549

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Theoretical and Computational Chemistry

Origin of Magnetic Anisotropy in Nickelocene Molecular Magnet and Resilience of its Magnetic Behavior

Maristella Alessio, Saikiran Kotaru, Goran Giudetti, Anna I. Krylov

Version 1 posted 22 August 2022

221

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