The DOI matches its Crossref record; 4 of the 4 references it cites were found in a registry or an index.
The radical character of the acenes: A density matrix renormalization group study
Open accessAbstract
We present a detailed investigation of the acene series using high-level wave function theory. Our ab initio density matrix renormalization group algorithm has enabled us to carry out complete active space calculations on the acenes from napthalene to dodecacene correlating the full π-valence space. While we find that the ground state is a singlet for all chain lengths, examination of several measures of radical character, including the natural orbitals, effective number of unpaired electrons, and various correlation functions, suggests that the longer acene ground states are polyradical in nature.
Overview
The claims and statistics of this paper haven’t been checked yet.
Run the check — free, no account needed. It reads the open-access text and checks the sources it cites.
Integrity signals
Registry
Cites
Statistics
Verification
Claims the paper makes
The claims and statistics of this paper haven’t been checked yet.
Run the check — free, no account needed. It reads the open-access text and checks the sources it cites.
Self-check
Percentages, sums and reported differences re-computed from the paper’s own numbers.
The self-check needs the paper’s full text.
Citations
Cites
Density-functional thermochemistry. III. The role of exact exchange
Becke, A. D. (1993) · The Journal of Chemical Physics · doi:10.1063/1.464913 · Cited by 103,767
Lee, C., Yang, W., & Parr, R. G. (1988) · Physical Review B · doi:10.1103/physrevb.37.785 · Cited by 100,874
Density matrix formulation for quantum renormalization groups
White, S. R. (1992) · Physical Review Letters · doi:10.1103/physrevlett.69.2863 · Cited by 7,702
Ab initio quantum chemistry using the density matrix renormalization group
White, S. R., & Martin, R. L. (1999) · The Journal of Chemical Physics · doi:10.1063/1.478295 · Cited by 558
Cited by
Formation of nascent soot and other condensed-phase materials in flames
Wang, H. (2011) · Proceedings of the Combustion Institute · doi:10.1016/j.proci.2010.09.009 · Cited by 1,208
The Density Matrix Renormalization Group in Quantum Chemistry
Chan, G. K.-L., & Sharma, S. (2011) · Annual Review of Physical Chemistry · doi:10.1146/annurev-physchem-032210-103338 · Cited by 822
Self-citationTensor product methods and entanglement optimization for ab initio quantum chemistry
Szalay, S., Pfeffer, M., Murg, V., Barcza, G., Verstraete, F., Schneider, R., & Legeza, Ö. (2015) · International Journal of Quantum Chemistry · doi:10.1002/qua.24898 · Cited by 314
The density matrix renormalization group for ab initio quantum chemistry
Wouters, S., & Van Neck, D. (2014) · The European Physical Journal D · doi:10.1140/epjd/e2014-50500-1 · Cited by 285
Mondal, R., Tönshoff, C., Khon, D., Neckers, D. C., & Bettinger, H. F. (2009) · Journal of the American Chemical Society · doi:10.1021/ja901841c · Cited by 261
Metadata
- Authors
- Hachmann, J., Dorando, J. J., Avilés, M., & Chan, G. K.-L.
- Venue
- The Journal of Chemical Physics
- Publisher
- AIP Publishing
- Published
- 2007-10-04
- Volume
- 127
- Issue
- 13
- Pages
- 134309-134309
- ISSN
- 0021-9606 (ISSN-L)
- 1089-7690
- OpenAlex
- W2025822865
- Cited by
- 469
- References
- 4
- FWCI
- 12.02
- Type
- journal article
- Language
- en
- Open access
- green
About these checks
Registry, retraction, Cites and statistics results are computed, not judged, with one exception: a printed reference that no index lists is read once by a model before it counts as a citation error. Claims are extracted by a model and kept only when their quote appears verbatim in the text; each cited source is then checked, with a model’s help, for whether it says what the claim relies on. Those verdicts can be wrong — read the claim’s quote and the cited source before relying on one.
Statistics and arithmetic are recomputed, not judged.
Confidence bands are shown only for fields calibrated on our annotated test set. None is calibrated yet, so no band is shown.
What counts as a claim ›How we measure confidence ›How we check this ›
Are you an author, or do you see a problem with this page? Request a review
How to cite
Cite CoChat for the checks on this page, and the paper for its own findings.
- This page
- CoChat. (2026). Citation check: The radical character of the acenes: A density matrix renormalization group study. https://app.cochat.ai/papers/10.1063/1.2768362
- The paper
- Hachmann, J., Dorando, J. J., Avilés, M., & Chan, G. K.-L. (2007). The radical character of the acenes: A density matrix renormalization group study. The Journal of Chemical Physics. https://doi.org/10.1063/1.2768362
Data sources
Bibliographic data: Semantic Scholar, OpenAlex, Crossref.
Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).
Semantic Scholar’s data is described in: Kinney, R., et al. (2023). The Semantic Scholar Open Data Platform. arXiv:2301.10140.
