The DOI matches its Crossref record; 1 of the 1 references it cites were found in a registry or an index.
Time-dependent Density Functional Results for the Dynamic Hyperpolarizability ofC60
Open accessAbstract
The experimental, as well as theoretical, values for the frequency-dependent hyperpolarizability of ${\mathrm{C}}_{60}$ differ by orders of magnitude. We present the first density functional calculation of a molecular frequency-dependent hyperpolarizability. Our implementation is very economical, enabling the treatment of molecules of this size, in a potentially much more accurate way than can be obtained with alternative methods. Our results strongly support the recent results by Geng and Wright, who report much lower experimental values than previous authors.
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Citations
Cites
Density-Functional Theory for Time-Dependent Systems
Runge, E., & Gross, E. K. U. (1984) · Physical Review Letters · doi:10.1103/physrevlett.52.997 · Cited by 8,914
Cited by
te Velde, G., Bickelhaupt, F. M., Baerends, E. J., Fonseca Guerra, C., van Gisbergen, S. J. A., Snijders, J. G., & Ziegler, T. (2001) · Journal of Computational Chemistry · doi:10.1002/jcc.1056 · Cited by 10,152
Self-citationImplementation of time-dependent density functional response equations
van Gisbergen, S. J. A., Snijders, J. G., & Baerends, E. J. (1999) · Computer Physics Communications · doi:10.1016/s0010-4655(99)00187-3 · Cited by 676
Self-citationChampagne, B., Perpète, E. A., Jacquemin, D., van Gisbergen, S. J. A., Baerends, E.-J., Soubra-Ghaoui, C., Robins, K. A., & Kirtman, B. (2000) · The Journal of Physical Chemistry A · doi:10.1021/jp993839d · Cited by 526
Self-citationChampagne, B., Perpète, E. A., van Gisbergen, S. J. A., Baerends, E.-J., Snijders, J. G., Soubra-Ghaoui, C., Robins, K. A., & Kirtman, B. (1998) · The Journal of Chemical Physics · doi:10.1063/1.477731 · Cited by 482
Self-citationOn the density matrix based approach to time-dependent density functional response theory
Furche, F. (2001) · The Journal of Chemical Physics · doi:10.1063/1.1353585 · Cited by 428
Metadata
- Authors
- van Gisbergen, S. J. A., Snijders, J. G., & Baerends, E. J.
- Venue
- Physical Review Letters
- Publisher
- American Physical Society (APS)
- Published
- 1997-04-21
- Volume
- 78
- Issue
- 16
- Pages
- 3097-3100
- ISSN
- 0031-9007 (ISSN-L)
- 1079-7114
- OpenAlex
- W2137174443
- Cited by
- 190
- References
- 1
- FWCI
- 11.19
- Type
- journal article
- Language
- en
- Open access
- bronze
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- van Gisbergen, S. J. A., Snijders, J. G., & Baerends, E. J. (1997). Time-dependent Density Functional Results for the Dynamic Hyperpolarizability ofC60. Physical Review Letters. https://doi.org/10.1103/physrevlett.78.3097
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Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).
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