Excitation Energies with Cost-Reduced Variant of the Active-Space EOMCCSDT Method: The EOMCCSDt-3̅ Approach-Reference-Cited by-同舟云学术

Excitation Energies with Cost-Reduced Variant of the Active-Space EOMCCSDT Method: The EOMCCSDt-3̅ Approach

Published:2013-10-17 Issue:11 Volume:9 Page:4761-4768
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Hu Han-Shi¹,Kowalski Karol¹

Affiliation:

1. William R. Wiley Environmental Molecular Sciences Laboratory, Pacific Northwest National Laboratory, K8-91, P.O.Box 999, Richland, Washington 99352, United States

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/ct400501z

Reference81 articles.

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3. The equation of motion coupled‐cluster method. A systematic biorthogonal approach to molecular excitation energies, transition probabilities, and excited state properties

4. Coupled‐cluster calculations of the excitation energies of ethylene, butadiene, and cyclopentadiene

5. The first excited singlet state of s‐tetrazine: A theoretical analysis of some outstanding questions

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