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Coupled cluster response functions
Abstract
The linear and quadratic response functions have been determined for a coupled cluster reference state. From the response functions, computationally tractable expressions have been derived for excitation energies, first- and second-order matrix transition elements, transition matrix elements between excited states, and second- and third-order frequency-dependent molecular properties.
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Citations
Cited by
Coupled-cluster theory in quantum chemistry
Bartlett, R. J., & Musiał, M. (2007) · Reviews of Modern Physics · doi:10.1103/revmodphys.79.291 · Cited by 3,343
Psi4: an open‐source ab initio electronic structure program
Turney, J. M., Simmonett, A. C., Parrish, R. M., Hohenstein, E. G., Evangelista, F. A., Fermann, J. T., Mintz, B. J., Burns, L. A., Wilke, J. J., Abrams, M. L., et al. (2012) · WIREs Computational Molecular Science · doi:10.1002/wcms.93 · Cited by 1,083
Head-Gordon, M., Rico, R. J., Oumi, M., & Lee, T. J. (1994) · Chemical Physics Letters · doi:10.1016/0009-2614(94)00070-0 · Cited by 699
Stanton, J. F., & Gauss, J. (1994) · The Journal of Chemical Physics · doi:10.1063/1.468022 · Cited by 608
Saitow, M., Becker, U., Riplinger, C., Valeev, E. F., & Neese, F. (2017) · The Journal of Chemical Physics · doi:10.1063/1.4981521 · Cited by 423
Metadata
- Authors
- Koch, H., & Jo/rgensen, P.
- Venue
- The Journal of Chemical Physics
- Publisher
- AIP Publishing
- Published
- 1990-09-01
- Volume
- 93
- Issue
- 5
- Pages
- 3333-3344
- ISSN
- 0021-9606 (ISSN-L)
- 1089-7690
- OpenAlex
- W2017904057
- Cited by
- 1,134
- References
- 0
- FWCI
- 4.64
- Type
- journal article
- Language
- en
- Open access
- closed
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- Koch, H., & Jo/rgensen, P. (1990). Coupled cluster response functions. The Journal of Chemical Physics. https://doi.org/10.1063/1.458814
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