Excited states from modified coupled cluster methods: Are they any better than EOM CCSD?
Author:
Affiliation:
1. Quantum Theory Project, Department of Chemistry, University of Florida, Gainesville, Florida 32611, USA
2. Department of Chemistry, University of Waterloo, Waterloo, Ontario N2L 3G1, Canada
Publisher
AIP Publishing
Subject
Physical and Theoretical Chemistry,General Physics and Astronomy
Link
http://aip.scitation.org/doi/am-pdf/10.1063/1.4979078
Reference75 articles.
1. Single-Reference ab Initio Methods for the Calculation of Excited States of Large Molecules
2. Progress and Challenges in the Calculation of Electronic Excited States
3. S. Hirata, P.D. Fan, T. Shiozaki, and Y. Shigeta, in Radiation Induced Molecular Phenomena in Nucleic Acids (Springer, The Netherlands, Dordrecht, 2008), pp. 15–64.
4. Coupled‐cluster theory and its equation‐of‐motion extensions
5. Equation-of-Motion Coupled-Cluster Methods for Open-Shell and Electronically Excited Species: The Hitchhiker's Guide to Fock Space
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