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Equation-of-Motion Coupled-Cluster Methods for Open-Shell and Electronically Excited Species

Equation-of-Motion Coupled-Cluster Methods for Open-Shell and Electronically Excited Species. Anna I. Krylov. University of Southern California, Los Angeles IMA Workshop Minneapolis, 2008 Recent review: Krylov , Equation-of-Motion Coupled-Cluster Methods

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234 views • 18 slides

Prashant Uday Manohar and Anna Krylov

A non-iterative perturbative triples correction for the spin-flipping equation-of-motion coupled-cluster methods with single and double substitutions. Prashant Uday Manohar and Anna Krylov Department of Chemistry, University of Southern California, Los Angeles, CA 90089-0482.

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134 views • 1 slides

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Equation-of-Motion Coupled-Cluster Methods for Open-Shell and Electronically Excited Species

Prashant Uday Manohar and Anna Krylov