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Some aspects of the time-dependent coupled-cluster approach to dynamic response functions
Abstract
An approximation scheme for dynamic response functions within the coupled cluster or $\mathrm{exp}(T)$ method of Coester and K\"ummel is described in this paper. Particular attention is given to the relationship between the "vacuum amplitude" $〈0|U(t,\ensuremath{-}\ensuremath{\infty})|0〉$ for the time development of an exact eigenstate of a many-electron Hamiltonian in the presence of an adiabatically switched-on perturbaction, and the amplitude $〈{\ensuremath{\Phi}}_{0}|U(t,\ensuremath{-}\ensuremath{\infty})|0〉$ for the time evolution into an independent-particle reference state $|{\ensuremath{\Phi}}_{0}〉$, which is not orthogonal to $|0〉$. The latter amplitude plays a prominent role in the time-dependent coupled-cluster calculation of response functions.
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Cited by
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Cao, Y., Romero, J., Olson, J. P., Degroote, M., Johnson, P. D., Kieferová, M., Kivlichan, I. D., Menke, T., Peropadre, B., Sawaya, N. P. D., et al. (2019) · Chemical Reviews · doi:10.1021/acs.chemrev.8b00803 · Cited by 1,560
A linear response, coupled-cluster theory for excitation energy
Sekino, H., & Bartlett, R. J. (1984) · International Journal of Quantum Chemistry · doi:10.1002/qua.560260826 · Cited by 710
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
The equation-of-motion coupled-cluster method: Excitation energies of Be and CO
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Metadata
- Authors
- Dalgaard, E., & Monkhorst, H. J.
- Venue
- Physical Review A
- Publisher
- American Physical Society (APS)
- Published
- 1983-09-01
- Volume
- 28
- Issue
- 3
- Pages
- 1217-1222
- ISSN
- 0556-2791 (ISSN-L)
- OpenAlex
- W2085488845
- Cited by
- 406
- References
- 0
- FWCI
- 1.65
- Type
- journal article
- Language
- en
- Open access
- closed
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- Dalgaard, E., & Monkhorst, H. J. (1983). Some aspects of the time-dependent coupled-cluster approach to dynamic response functions. Physical Review A. https://doi.org/10.1103/physreva.28.1217
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