Strong Correlation in Acene Sheets from the Active-Space Variational Two-Electron Reduced Density Matrix Method: Effects of Symmetry and Size-Reference-Cited by-同舟云学术

Strong Correlation in Acene Sheets from the Active-Space Variational Two-Electron Reduced Density Matrix Method: Effects of Symmetry and Size

Published:2011-05-12 Issue:22 Volume:115 Page:5632-5640
ISSN:1089-5639
Container-title:The Journal of Physical Chemistry A
language:en
Short-container-title:J. Phys. Chem. A

Author:

Pelzer Kenley¹,Greenman Loren¹²,Gidofalvi Gergely³,Mazziotti David A.¹

Affiliation:

1. Department of Chemistry and The James Franck Institute, The University of Chicago, Chicago, Illinois 60637, United States

2. Department of Chemistry, University of California, Berkeley, California 94720, United States

3. Department of Chemistry, Gonzaga University, Spokane, Washington 99258, United States

Publisher

American Chemical Society (ACS)

Subject

Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/jp2017192

Reference64 articles.

1. Polycyclic aromatic hydrocarbons in edible fats and oils: occurrence and analytical methods

2. More on the regulation of tobacco smoke: how we got here and where next

3. Soot Growth Mechanisms from Polyynes

4. Interstellar Polycyclic Aromatic Hydrocarbon Molecules

5. Geerts, Y.; Klärner, G.; Müllen, K.InElectronic Materials: The Oligomer Approach;Müllen, K.; Klärner, G., Eds.Wiley-VCH:Weinheim, Germany, 1998; p48.

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