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Efficient Implementation of Equation-of-Motion Coupled-Cluster Singles and Doubles Method with the Density-Fitting Approximation: An Enhanced Algorithm for the Particle–Particle Ladder Term
[Image: see text] An efficient implementation of the density-fitted equation-of-motion coupled-cluster singles and doubles (DF-EOM-CCSD) method is presented with an enhanced algorithm for the particle–particle ladder (PPL) term, which is the most expensive part of EOM-CCSD computations. To further i...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
American Chemical Society
2022
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| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8908769/ https://www.ncbi.nlm.nih.gov/pubmed/35107297 http://dx.doi.org/10.1021/acs.jctc.1c01000 |