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Theoretical and Computational Chemistry

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equation-of-motion

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3 results in Keywords: equation-of-motion

Theoretical and Computational Chemistry

Effective Hamiltonians Derived from Equation-of-Motion Coupled-Cluster Wave-Functions: Theory and Application to the Hubbard and Heisenberg Hamiltonians

Pavel Pokhilko, Anna I. Krylov

Version 1 posted 23 December 2019

584

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Theoretical and Computational Chemistry

Equation-of-Motion Coupled-Cluster Theory to Model L-edge X-Ray Absorption and Photoelectron Spectra

Marta L. Vidal, Pavel Pokhilko, Anna Krylov, Sonia Coriani

Version 1 posted 02 July 2020

493

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Theoretical and Computational Chemistry

Two algorithms for excited-states quantum solvers: Theory and application to EOM-UCCSD

Yongbin Kim, Anna Krylov

Version 1 posted 17 April 2023

682

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