The DOI matches its Crossref record; 15 of the 15 references it cites were found in a registry or an index.
Electric Field Dependence of the Exchange-Correlation Potential in Molecular Chains
Open accessAbstract
Density functional calculations on the (non)linear optical properties of conjugated molecular chains using currently popular exchange-correlation (xc) potentials give overestimations of several orders of magnitude. By analyzing ``exact'' and Krieger-Li-Iafrate xc potentials, the error is traced back to an incorrect electric field dependence of the ``response part'' of the xc potential in local and gradient-corrected density approximations, which lack a linear term counteracting the applied electric field.
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Cites
Self-Consistent Equations Including Exchange and Correlation Effects
Kohn, W., & Sham, L. J. (1965) · Physical Review · doi:10.1103/physrev.140.a1133 · Cited by 64,135
Hohenberg, P., & Kohn, W. (1964) · Physical Review · doi:10.1103/physrev.136.b864 · Cited by 53,541
Exchange-correlation potential with correct asymptotic behavior
van Leeuwen, R., & Baerends, E. J. (1994) · Physical Review A · doi:10.1103/physreva.49.2421 · Cited by 1,477
Self-citationOptimized effective atomic central potential
Talman, J. D., & Shadwick, W. F. (1976) · Physical Review A · doi:10.1103/physreva.14.36 · Cited by 1,208
Krieger, J. B., Li, Y., & Iafrate, G. J. (1992) · Physical Review A · doi:10.1103/physreva.45.101 · Cited by 760
Density Functional Methods In Physics
(1985) · Springer eBooks · doi:10.1007/978-1-4757-0818-9 · Cited by 710
A Quantum Chemical View of Density Functional Theory
Baerends, E. J., & Gritsenko, O. V. (1997) · The Journal of Physical Chemistry A · doi:10.1021/jp9703768 · Cited by 646
Self-citationGonze, X., Ghosez, P., & Godby, R. W. (1995) · Physical Review Letters · doi:10.1103/physrevlett.74.4035 · Cited by 290
van Gisbergen, S. J. A., Osinga, V. P., Gritsenko, O. V., van Leeuwen, R., Snijders, J. G., & Baerends, E. J. (1996) · The Journal of Chemical Physics · doi:10.1063/1.472182 · Cited by 196
Self-citationTime-dependent Density Functional Results for the Dynamic Hyperpolarizability ofC60
van Gisbergen, S. J. A., Snijders, J. G., & Baerends, E. J. (1997) · Physical Review Letters · doi:10.1103/physrevlett.78.3097 · Cited by 190
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Cited by
Tkatchenko, A., & Scheffler, M. (2009) · Physical Review Letters · doi:10.1103/physrevlett.102.073005 · Cited by 6,286
Property-optimized Gaussian basis sets for molecular response calculations
Rappoport, D., & Furche, F. (2010) · The Journal of Chemical Physics · doi:10.1063/1.3484283 · Cited by 2,037
TIME-DEPENDENT DENSITY FUNCTIONAL THEORY
Marques, M. A. L., & Gross, E. K. U. (2004) · Annual Review of Physical Chemistry · doi:10.1146/annurev.physchem.55.091602.094449 · Cited by 1,628
Many-electron self-interaction error in approximate density functionals
Mori-Sánchez, P., Cohen, A. J., & Yang, W. (2006) · The Journal of Chemical Physics · doi:10.1063/1.2403848 · Cited by 745
Champagne, 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
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Metadata
- Authors
- van Gisbergen, S. J. A., Schipper, P. R. T., Gritsenko, O. V., Baerends, E. J., Snijders, J. G., Champagne, B., & Kirtman, B.
- Venue
- Physical Review Letters
- Publisher
- American Physical Society (APS)
- Published
- 1999-07-26
- Volume
- 83
- Issue
- 4
- Pages
- 694-697
- ISSN
- 0031-9007 (ISSN-L)
- 1079-7114
- OpenAlex
- W2019550041
- Cited by
- 360
- References
- 15
- FWCI
- 7.18
- Type
- journal article
- Language
- en
- Open access
- bronze
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- van Gisbergen, S. J. A., Schipper, P. R. T., Gritsenko, O. V., Baerends, E. J., Snijders, J. G., Champagne, B., & Kirtman, B. (1999). Electric Field Dependence of the Exchange-Correlation Potential in Molecular Chains. Physical Review Letters. https://doi.org/10.1103/physrevlett.83.694
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