The DOI matches its Crossref record; 14 of the 14 references it cites were found in a registry or an index.
Natural transition orbitals
Abstract
A means of finding a compact orbital representation for the electronic transition density matrix is described. The technique utilizes the corresponding orbital transformation of Amos and Hall and allows a dramatic simplification in the qualitative description of an electronic transition.
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
Hay, P. J., & Wadt, W. R. (1985) · The Journal of Chemical Physics · doi:10.1063/1.448975 · Cited by 15,577
Wadt, W. R., & Hay, P. J. (1985) · The Journal of Chemical Physics · doi:10.1063/1.448800 · Cited by 10,098
Bauernschmitt, R., & Ahlrichs, R. (1996) · Chemical Physics Letters · doi:10.1016/0009-2614(96)00440-x · Cited by 5,747
Stratmann, R. E., Scuseria, G. E., & Frisch, M. J. (1998) · The Journal of Chemical Physics · doi:10.1063/1.477483 · Cited by 5,099
Time-dependent density functional theory within the Tamm–Dancoff approximation
Hirata, S., & Head-Gordon, M. (1999) · Chemical Physics Letters · doi:10.1016/s0009-2614(99)01149-5 · Cited by 2,268
An intermediate neglect of differential overlap technique for spectroscopy: Pyrrole and the azines
Ridley, J., & Zerner, M. (1973) · Theoretica Chimica Acta · doi:10.1007/bf00528484 · Cited by 1,963
Excitation Energies from Time-Dependent Density-Functional Theory
Petersilka, M., Gossmann, U. J., & Gross, E. K. U. (1996) · Physical Review Letters · doi:10.1103/physrevlett.76.1212 · Cited by 1,666
Recent Advances in Density Functional Methods Part III
Chong, D. P. (2002) · Cited by 1,351
Time-Dependent Density-Functional Theory
Gross, E. K. U., & Kohn, W. (1990) · Advances in Quantum Chemistry · doi:10.1016/s0065-3276(08)60600-0 · Cited by 1,096
Cited by
Samanta, P. K., Kim, D., Coropceanu, V., & Brédas, J.-L. (2017) · Journal of the American Chemical Society · doi:10.1021/jacs.6b12124 · Cited by 1,025
Yang, J., Ghosh, S., Roeser, J., Acharjya, A., Penschke, C., Tsutsui, Y., Rabeah, J., Wang, T., Djoko Tameu, S. Y., Ye, M.-Y., et al. (2022) · Nature Communications · doi:10.1038/s41467-022-33875-9 · Cited by 279
Theoretical Advances in Polariton Chemistry and Molecular Cavity Quantum Electrodynamics
Mandal, A., Taylor, M. A. D., Weight, B. M., Koessler, E. R., Li, X., & Huo, P. (2023) · Chemical Reviews · doi:10.1021/acs.chemrev.2c00855 · Cited by 270
Chen, X., Tsuchiya, Y., Ishikawa, Y., Zhong, C., Adachi, C., & Brédas, J. (2017) · Advanced Materials · doi:10.1002/adma.201702767 · Cited by 260
Mukamel, S., Healion, D., Zhang, Y., & Biggs, J. D. (2013) · Annual Review of Physical Chemistry · doi:10.1146/annurev-physchem-040412-110021 · Cited by 200
Metadata
- Authors
- Martin, R. L.
- Venue
- The Journal of Chemical Physics
- Publisher
- AIP Publishing
- Published
- 2003-03-15
- Volume
- 118
- Issue
- 11
- Pages
- 4775-4777
- ISSN
- 0021-9606 (ISSN-L)
- 1089-7690
- OpenAlex
- W1989854295
- Cited by
- 2,761
- References
- 14
- FWCI
- 3.16
- Type
- journal article
- Language
- en
- Open access
- closed
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: Natural transition orbitals. https://app.cochat.ai/papers/10.1063/1.1558471
- The paper
- Martin, R. L. (2003). Natural transition orbitals. The Journal of Chemical Physics. https://doi.org/10.1063/1.1558471
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.