Role of Many-Body Effects in Describing Low-Lying Excited States of π-Conjugated Chromophores: High-Level Equation-of-Motion Coupled-Cluster Studies of Fused Porphyrin Systems-Reference-Cited by-同舟云学术

Role of Many-Body Effects in Describing Low-Lying Excited States of π-Conjugated Chromophores: High-Level Equation-of-Motion Coupled-Cluster Studies of Fused Porphyrin Systems

Published:2011-06-16 Issue:7 Volume:7 Page:2200-2208
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Kowalski K.¹,Olson R. M.²,Krishnamoorthy S.³,Tipparaju V.⁴,Aprà E.⁴

Affiliation:

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

2. Cray, Incorporated, 380 Jackson St. Suite 210, St. Paul, Minnesota 55101, United States

3. High Performance Computing, Pacific Northwest National Laboratory, Richland, Washington 99352, United States

4. Computer Science and Mathematics Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, United States

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry,Computer Science Applications

Link

https://pubs.acs.org/doi/pdf/10.1021/ct200217y

Reference74 articles.

1. Completely Fused Diporphyrins and Triporphyrin

2. Syntheses, Structural Characterizations, and Optical and Electrochemical Properties of Directly Fused Diporphyrins

3. Fully Conjugated Porphyrin Tapes with Electronic Absorption Bands That Reach into Infrared

4. Functionalized Acenes and Heteroacenes for Organic Electronics

5. Graphenes as Potential Material for Electronics

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