Benchmarks for Electronically Excited States: A Comparison of Noniterative and Iterative Triples Corrections in Linear Response Coupled Cluster Methods: CCSDR(3) versus CC3-Reference-Cited by-同舟云学术

Benchmarks for Electronically Excited States: A Comparison of Noniterative and Iterative Triples Corrections in Linear Response Coupled Cluster Methods: CCSDR(3) versus CC3

Published:2009-02-02 Issue:3 Volume:5 Page:555-564
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Sauer Stephan P. A.¹,Schreiber Marko¹,Silva-Junior Mario R.¹,Thiel Walter¹

Affiliation:

1. Department of Chemistry, University of Copenhagen, DK-2100 Copenhagen Ø, Denmark, and Max-Planck-Institut für Kohlenforschung, Kaiser-Wilhelm-Platz 1, D-45470 Mülheim an der Ruhr, Germany

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/ct800256j

Reference100 articles.

1. Benchmarks for electronically excited states: CASPT2, CC2, CCSD, and CC3

2. Benchmarks for electronically excited states: Time-dependent density functional theory and density functional theory based multireference configuration interaction

3. The second-order approximate coupled cluster singles and doubles model CC2

4. Linear response CC2 triplet excitation energies

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