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Theoretical and Computational Chemistry

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equation-of-motion coupled cluster

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3 results in Keywords: equation-of-motion coupled cluster

Theoretical and Computational Chemistry

How to Stay out of Trouble in RIXS Calculations Within Equation-of-Motion Coupled-Cluster Damped Response Theory? Safe Hitchhiking in the Excitation Manifold by Means of Core-Valence Separation

Kaushik Nanda, Marta L. Vidal, Rasmus Faber, Sonia Coriani, Anna Krylov

Version 2 posted 11 September 2019

718

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Theoretical and Computational Chemistry

Cherrypicking Resolvents: A General Strategy for Convergent Coupled-Cluster Damped Response Calculations of Core-Level Spectra

Kaushik Nanda, Anna Krylov

Version 1 posted 06 July 2020

252

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Theoretical and Computational Chemistry

Theory, implementation, and disappointing results for two-photon absorption cross sections within the doubly electron-attached equation-of-motion coupled-cluster framework

Kaushik Nanda, Sahil Gulania, Anna Krylov

Version 1 posted 16 November 2022

159

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