Search

Categories

Theoretical and Computational Chemistry

(3)

Content Types

Working Paper

(3)

Published Date

Over 3 years

(3)

Keywords

Equation-of-Motion Coupled Cluster method

Authors

3 results in Keywords: Equation-of-Motion Coupled Cluster method

Theoretical and Computational Chemistry

Feshbach-Fano Approach for Calculation of Auger Decay Rates Using Equation-of-Motion Coupled-Cluster Wave Functions: Numerical Examples and Benchmarks

Wojciech Skomorowski, Anna Krylov

Version 1 posted 10 November 2020

367

Downloads

Theoretical and Computational Chemistry

Quantum Mechanics / Extremely Localized Molecular Orbital Embedding Strategy for Excited-States. 2. Coupling to the Equation-of-Motion Coupled Cluster Method

Giovanni Macetti, Alessandro Genoni

Version 1 posted 16 September 2020

494

Downloads

Theoretical and Computational Chemistry

Equation-of-Motion Coupled-Cluster Protocol for Calculating Magnetic Properties: Theory and Applications to Single-Molecule Magnets

Maristella Alessio, Anna Krylov

Version 1 posted 05 May 2021

451

Downloads