@article{60e20825d6ce46998320bc4acc97cde8,
title = "Correlated electronic properties of a graphene nanoflake: Coronene",
abstract = "We report studies of the correlated excited states of coronene and substituted coronene within the Pariser–Parr–Pople (PPP) correlated π-electron model employing the symmetry-adapted density matrix renormalization group technique. These polynuclear aromatic hydrocarbons can be considered as graphene nanoflakes. We review their electronic structures utilizing a new symmetry adaptation scheme that exploits electron-hole symmetry, spin-inversion symmetry, and end-to-end interchange symmetry. The study of the electronic structures sheds light on the electron correlation effects in these finite-size graphene analogues, which diminishes going from one-dimensional to higher-dimensional systems, yet is significant within these finite graphene derivatives.",
keywords = "Carbon nanodots, Low-lying excited states, Pariser–Parr–Pople (PPP) model, Strongly-correlated system, Symmetrized DMRG",
author = "Suryoday Prodhan and Sumit Mazumdar and S. Ramasesha",
note = "Funding Information: The authors are grateful for financial support from the Indo-US Science and Technology Forum that was instrumental in the creation of a Joint Center, which made this collaborative research possible. S.R. is thankful to the Department of Science and Technology, India, for financial support. S.M. acknowledges partial support from U.S. NSF Grant CHE-1764152 and the UA-RENFaculty Exploratory Research Grant. S.P. acknowledges CSIR India for a senior research fellowship. Funding Information: Acknowledgments: The authors are grateful for financial support from the Indo-US Science and Technology Forum that was instrumental in the creation of a Joint Center, which made this collaborative research possible. S.R. is thankful to the Department of Science and Technology, India, for financial support. S.M. acknowledges partial support from U.S. NSF Grant CHE-1764152 and the UA-RENFaculty Exploratory Research Grant. S.P. acknowledges CSIR India for a senior research fellowship. Funding Information: Funding: This work is supported by the Indo-US Science and Technology Forum (IUSSTF) (Grant: JC-37/2012), Department of Science and Technology, India (Grant: DST/EMR/2016/005183) and by National Science Foundation (Grant: CHE-1764152). Publisher Copyright: {\textcopyright} 2019 by the authors.",
year = "2019",
month = feb,
day = "18",
doi = "10.3390/molecules24040730",
language = "English (US)",
volume = "24",
journal = "Molecules",
issn = "1420-3049",
publisher = "Multidisciplinary Digital Publishing Institute (MDPI)",
number = "4",
}